SCHEMBL3689085

SCHEMBL3689085

[CH2]CCCc1cccc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.63
CHRM1 P11229 2/20 0.63
CHRM3 P20309 2/20 0.63
TAAR1 Q96RJ0 3/20 0.62
IDO1 P14902 2/20 0.58
AGXT P21549 2/20 0.58
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
AOC3 Q16853 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
ABCB1 P08183 1/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53

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
SCHEMBL863899 0.93 CHRM2 (0.59) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL4142939 0.93 CHRM2 (0.59) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL5315445 0.89 TAAR1 (0.67) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL21002016 0.88 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL21002162 0.88 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL29986862 0.88 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL21002124 0.86 TAAR1 (0.69) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL723511 0.84 TAAR1 (0.77) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL30080050 0.84 TAAR1 (0.77) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL145383 0.83 CHRM2 (0.65) CHRM2CHRM1CHRM3TAAR1MTNR1A

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-104710428-A Benzoxazole kinase inhibitors and methods of use INTELLIKINE INC 2015-06-17 CN disclosed
CN-102271513-B Benzoxazole kinase inhibitors and methods of use INTELLIKINE INC 2015-02-04 CN disclosed
CN-102924458-B 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARM INC 2014-11-05 CN disclosed
CN-104080786-A Treatment regimens using multiple agents INTELLIKINE LLC 2014-10-01 CN disclosed
CN-103703174-A Combination pharmaceutical compositions and uses thereof INTELLIKINE LLC 2014-04-02 CN disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
CN-102985420-A Cytochrome P450 inhibitors and uses thereof ANGION BIOMEDICA CORP 2013-03-20 CN disclosed
CN-102924458-A 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARM INC 2013-02-13 CN disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
CN-1898240-B Imidazopyrazine tyrosine kinase inhibitors OSI PHARM INC 2011-08-03 CN disclosed
US-5883125-A Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1999-03-16 US disclosed
CN-1204637-A Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM & HAAS (US) 1999-01-13 CN disclosed
EP-0889024-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1999-01-07 EP disclosed
EP-0860438-A1 Fluorine-containing diphenyl acrylamide antimicrobial agents Shenyang Research Institute of Chemical Industry (CN) 1998-08-26 EP disclosed
EP-0835865-A1 Dihydropyridazinones and pyridazinones and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1998-04-15 EP disclosed
CN-1175575-A Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM & HAAS (US) 1998-03-11 CN disclosed
CN-1171392-A Benzyloxy substitutedaromatics and their use as fungicides and insecticides ROHM & HAAS (US) 1998-01-28 CN disclosed
EP-0811614-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1997-12-10 EP disclosed
EP-0811608-A1 Benzyloxy substituted aromatics containing an acrylyl moiety and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1997-12-10 EP disclosed
CN-1113232-A Dithiocarbonimide derivative, fungicidal/insecticidal/acaricidal agent containing said derivative as active ingredient, intermediate for use in producing said derivative from said intermediate SUMITOMO CHEMICAL CO (JP) 1995-12-13 CN disclosed