SCHEMBL938757

SCHEMBL938757

NC(=O)N1CCCCC1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.59
HSD11B1 P28845 2/20 0.56
PARP14 Q460N5 2/20 0.54
PARP10 Q53GL7 1/20 0.54
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
BACE1 P56817 1/20 0.49
EPHX2 P34913 2/20 0.49
PRMT5 O14744 4/20 0.48
WDR77 Q9BQA1 4/20 0.48
SCD5 Q86SK9 3/20 0.48
SCD O00767 1/20 0.48
TRPC3 Q13507 1/20 0.47
TRPC6 Q9Y210 1/20 0.47

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
SCHEMBL4776278 0.95 RIPK1 (0.65) RIPK1HSD11B1PARP14PARP10HSP90AA1
Toluene SCHEMBL28245885 0.93 TRPC3 (0.56) RIPK1HSD11B1PARP14PARP10HSP90AA1
Trifluoroacetic Acid SCHEMBL28142751 0.91 RIPK1 (0.55) RIPK1HSD11B1PARP14PARP10HSP90AA1
SCHEMBL12944008 0.88 RIPK1 (0.63) RIPK1HSD11B1PARP14PARP10HSP90AA1
Trifluoroacetic Acid SCHEMBL18050102 0.86 RIPK1 (0.59) RIPK1HSD11B1PARP14PARP10HSP90AA1
SCHEMBL27574946 0.86 RIPK1 (0.62) RIPK1HSD11B1PARP14PARP10HSP90AA1
SCHEMBL216202 0.86 RIPK1 (0.62) RIPK1HSD11B1PARP14PARP10HSP90AA1
SCHEMBL4019469 0.86 RIPK1 (0.62) RIPK1HSD11B1PARP14PARP10HSP90AA1
SCHEMBL27574934 0.86 RIPK1 (0.62) RIPK1HSD11B1PARP14PARP10HSP90AA1
Water SCHEMBL27700791 0.85 RIPK1 (0.60) RIPK1HSD11B1PARP14PARP10HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105111210-B Condensed imidazole derivatives as IDO inhibitor 新联基因公司 2018-10-09 CN claimed
CN-107624110-A Inhibitor of lysyloxidase sample 2 and application thereof 法玛克亚公司 2018-01-23 CN claimed
CN-107592861-A It is fluorinated inhibitor of lysyloxidase sample 2 and application thereof 法玛克亚公司 2018-01-16 CN claimed
CN-103547579-B Fused imidazole derivatives as IDO inhibitors 新联基因公司 2017-02-15 CN claimed
EP-2635281-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY University Of Hawaii (US) 2013-09-11 EP claimed
WO-2012061505-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII (US) 2012-05-10 WO claimed
CN-110139861-A Pyran derivatives as inhibitors of CYP11A1 (cytochrome P450 monooxygenase 11A1) 奥赖恩公司 2019-08-16 CN disclosed
CN-107001271-B Hydroxyamidine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2019-05-10 CN disclosed
CN-106715440-B Imidazo isoindoles derivative, preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2019-02-22 CN disclosed
CN-109348715-A pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2019-02-15 CN disclosed
CN-108137518-A As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition 株式会社钟根堂 2018-06-08 CN disclosed
EP-3122746-B1 PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2018-04-25 EP disclosed
CN-104755083-B Urea and amide derivatives of aminoalkyl piperazine and application thereof 南方研究所 2018-04-10 CN disclosed
WO-2006028545-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
WO-2006021655-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed
WO-2006021656-A2 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed
CN-1137886-C 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives ��˹��ŵ�� 2004-02-11 CN disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed