Calycanthine

Calycanthine

SCHEMBL893195

CN1CC[C@]23c4ccccc4N[C@H]1[C@]21CCN(C)[C@H]3Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.43
EHMT2 Q96KQ7 5/20 0.43
SUV39H1 O43463 2/20 0.43
ACHE P22303 8/20 0.43
BCHE P06276 5/20 0.43
NSD2 O96028 1/20 0.39
EP300 Q09472 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39
NSD1 Q96L73 1/20 0.39
NSD3 Q9BZ95 1/20 0.39
SIGMAR1 Q99720 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Chimonanthine SCHEMBL20927442 1.00 TACR1 (0.43) TACR1EHMT2SUV39H1ACHEBCHE
Chimonanthine SCHEMBL29515267 1.00 TACR1 (0.43) TACR1EHMT2SUV39H1ACHEBCHE
Calycanthine SCHEMBL29878816 1.00 TACR1 (0.43) TACR1EHMT2SUV39H1ACHEBCHE
Chimonanthine SCHEMBL29779948 1.00 TACR1 (0.43) TACR1EHMT2SUV39H1ACHEBCHE
Calycanthine SCHEMBL29779950 1.00 TACR1 (0.43) TACR1EHMT2SUV39H1ACHEBCHE
SCHEMBL30555832 0.87 TACR1 (0.39) TACR1EHMT2SUV39H1ACHEBCHE
SCHEMBL1006038 0.85 TACR1 (0.36) TACR1EHMT2SUV39H1ACHEBCHE
SCHEMBL20927487 0.85 TACR1 (0.36) TACR1EHMT2SUV39H1ACHEBCHE
SCHEMBL20927482 0.85 TACR1 (0.36) TACR1EHMT2SUV39H1ACHEBCHE
SCHEMBL19655969 0.85 TACR1 (0.36) TACR1EHMT2SUV39H1ACHEBCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110840885-B Anti-nasopharyngeal cancer application of vegetarian calyxin 北京麦思迪国际医药科技有限公司 2022-12-06 CN claimed
CN-110680838-B Application of vegetarian calycanthine in resisting prostate cancer 海门茂发美术图案设计有限公司 2021-10-01 CN claimed
CN-111012806-B New application of vegetarian calycanthine in resisting breast cancer 海门茂发美术图案设计有限公司 2021-10-01 CN claimed
CN-111012806-A New application of vegetarian calycanthine in resisting breast cancer 南京凡亦达生物科技有限公司 2020-04-17 CN claimed
CN-110840885-A Anti-nasopharyngeal cancer application of vegetarian calyxin 南京凡亦达生物科技有限公司 2020-02-28 CN claimed
CN-110680838-A Application of vegetarian calycanthine in resisting prostate cancer 南京凡亦达生物科技有限公司 2020-01-14 CN claimed
CN-109535157-A A kind of half calycanthine analog, its preparation method and use 江苏科技大学 2019-03-29 CN claimed
US-20170364630-A1 IDENTIFICATION OF CELLULAR ANTIMICROBIAL DRUG TABLETS THROUGH INTERACTOME ANALYSIS VANDERBILT UNIVERSITY 2017-12-21 US claimed
WO-2016090362-A1 IDENTIFICATION OF CELLULAR ANTIMICROBIAL DRUG TARGETS THROUGH INTERACTOME ANALYSIS VANDERBILT UNIVERSITY (US) 2016-06-09 WO claimed
EP-2665739-A1 METHODS AND COMPOSITIONS RELATED TO SYNERGISTIC RESPONSES TO ONCOGENIC MUTATIONS THE UNIVERSITY OF ROCHESTER (US) 2013-11-27 EP claimed
WO-2012100248-A1 METHODS AND COMPOSITIONS RELATED TO SYNERGISTIC RESPONSES TO ONCOGENIC MUTATIONS THE UNIVERSITY OF ROCHESTER (US) 2012-07-26 WO claimed
US-20120114670-A1 METHODS AND COMPOSITIONS RELATED TO SYNERGISTIC RESPONSES TO ONCOGENIC MUTATIONS UNIVERSITY OF ROCHESTER (US) 2012-05-10 US claimed
US-20120082659-A1 Methods And Compositions Related To Synergistic Responses To Oncogenic Mutations NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-05 US claimed
US-20100285001-A1 Method and Compositions Related to Synergistic Responses to Oncogenic Mutations UNIVERSITY OF ROCHESTER (US) 2010-11-11 US claimed
EP-2188630-A2 METHODS AND COMPOSITIONS RELATED TO SYNERGISTIC RESPONSES TO ONCOGENIC MUTATIONS THE UNIVERSITY OF ROCHESTER (US) 2010-05-26 EP claimed
WO-2009045443-A2 METHODS AND COMPOSITIONS RELATED TO SYNERGISTIC RESPONSES TO ONCOGENIC MUTATIONS THE UNIVERSITY OF ROCHESTER (US) 2009-04-09 WO claimed
EP-2001877-A1 METHOD FOR EXTRACTING TARGET ALKALOID USING AN IONIC LIQUID AS EXTRACTING SOLVENT Bioniqs Limited (GB) 2008-12-17 EP claimed
WO-2007110637-A1 METHOD FOR EXTRACTING TARGET ALKALOID USING AN IONIC LIQUID AS EXTRACTING SOLVENT BIONIQS LIMITED (GB) 2007-10-04 WO claimed
US-20240052418-A1 METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-02-15 US disclosed
CN-1040206-A Prevent to form the method for polymer scale formation SHINETSU CHEMICAL CO (JP) 1990-03-07 CN disclosed