SCHEMBL726804

SCHEMBL726804

Cc1cccc(CCN)c1C

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.68
HTR2A P28223 2/20 0.50
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.41
HMGB1 P09429 1/20 0.40
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39

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
Hydrochloric Acid SCHEMBL789069 0.98 TAAR1 (0.65) TAAR1HTR2AMAPTNPSR1SMN1; SMN2
SCHEMBL16053760 0.88 TAAR1 (0.62) TAAR1HTR2AMAPTNPSR1SMN1; SMN2
SCHEMBL4078195 0.87 TAAR1 (0.52) TAAR1HTR2AMAPTNPSR1SMN1; SMN2
SCHEMBL6547407 0.85 ESR1 (0.47) TAAR1MAPTSMN1; SMN2MAPK1ESR1
SCHEMBL30231281 0.85 ESR1 (0.47) TAAR1MAPTSMN1; SMN2MAPK1ESR1
Hydrochloric Acid SCHEMBL5154766 0.85 TAAR1 (0.50) TAAR1HTR2AMAPTNPSR1SMN1; SMN2
SCHEMBL8072431 0.81 ESR1 (0.44) TAAR1MAPTSMN1; SMN2MAPK1ESR1
SCHEMBL143303 0.81 TAAR1 (1.00) TAAR1HTR2AMAPTNPSR1SMN1; SMN2
SCHEMBL31347241 0.81 TAAR1 (1.00) TAAR1HTR2AMAPTNPSR1SMN1; SMN2
SCHEMBL15997 0.81 TAAR1 (0.48) TAAR1HTR2AMAPTMAPK1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110016384-A A method of separating grease from shrimp crab 中国海洋大学 2019-07-16 CN claimed
CN-103954702-A Method for detecting volatile insecticidal components of bitter gourd leaves UNIV TIANJIN NORMAL 2014-07-30 CN claimed
CN-101175785-B Hydrocarbon or hydrofluorocarbon blown ASTM E-84 class I rigid polyurethane foams BAYER MATERIALSCIENCE LLC 2011-02-09 CN claimed
JP-2009517533-A 2009-04-30 JP claimed
CN-101316875-A Water-blown, flame retardant rigid polyurethane foam BAYER MATERIALSCIENCE LLC (US) 2008-12-03 CN claimed
CN-101175785-A Hydrocarbon or hydrofluorocarbon blown ASTM E-84 class i rigid polyurethane foams BAYER MATERIALSCIENCE LLC (US) 2008-05-07 CN claimed
WO-2007075251-A2 WATER-BLOWN, FLAME RETARDANT RIGID POLYURETHANE FOAM BAYER MATERIALSCIENCE LLC (US) 2007-07-05 WO claimed
CN-114341131-B Novel oxadiazole compounds comprising 5-membered heteroaromatic rings for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-09-03 CN disclosed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
CN-116367864-A Controlled release filler composition and capsule containing the same R·P·谢勒技术有限公司 2023-06-30 CN disclosed
CN-116322655-A Soft gel capsule for regulating release R·P·谢勒技术有限公司 2023-06-23 CN disclosed
CN-114341131-A Novel oxadiazole compounds comprising a 5-membered heteroaromatic ring for controlling or preventing phytopathogenic fungi PI工业有限公司 2022-04-12 CN disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
CN-1421313-A Metal-polyurethane laminate BAYER AG (DE) 2003-06-04 CN disclosed
CN-1368426-A Method for making sole of shoe KAO CORP (JP) 2002-09-11 CN disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
CN-1348966-A Polyurethane foam material, and its prepn. method KAO CORP (JP) 2002-05-15 CN disclosed
CN-1239485-A Method for discontinuous prodn. of flexible, open-cell polyurethane foams BAYER AG (DE) 1999-12-22 CN disclosed
US-4913891-A CARBON-11 LABELED CLORGYLINE AND L-DEPRENYL BOUND TO MONO-OXIDASE; IRREVERSIBLE; MAPPING ENZYME ACITIVITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1990-04-03 US disclosed
US-4107165-A ANTICOAGULANTS ENDO LABORATORIES (US) 1978-08-15 US disclosed