SCHEMBL7707362

SCHEMBL7707362

COC(CCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
TDO2 P48775 2/20 0.47
ABCB1 P08183 8/20 0.47
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
ACP3 P15309 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
RECQL P46063 1/20 0.42
MMP12 P39900 1/20 0.41

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
SCHEMBL6330057 0.89 KCNH2 (0.46) IDO1SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4443325 0.86 IDO1 (0.51) IDO1TDO2ABCB1F2PRSS1
SCHEMBL9379292 0.84 MMP12 (0.47) IDO1TDO2ABCB1F2PRSS1
SCHEMBL28902075 0.83 IDO1 (0.50) IDO1TDO2F2PRSS1ACP3
SCHEMBL7796542 0.80 IDO1 (0.47) IDO1TDO2F2PRSS1ACP3
SCHEMBL1520876 0.80 IDO1 (0.69) IDO1TDO2F2PRSS1ACP3
SCHEMBL3481822 0.80 IDO1 (0.47) IDO1TDO2F2PRSS1ACP3
SCHEMBL3950653 0.80 IDO1 (0.47) IDO1TDO2F2PRSS1ACP3
SCHEMBL4056401 0.79 SIGMAR1 (0.46) ACP3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1098807 0.79 AOC3 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077959-A1 MORPHOLINO ETHERS Glaxo Wellcome S.A. (ES) 2001-02-28 EP claimed
WO-1999058512-A1 MORPHOLINO ETHERS GLAXO WELLCOME S.A. (ES) 1999-11-18 WO claimed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed
EP-1228049-A1 ANTIFUNGAL SORDARICIN DERIVATIVES Glaxo Wellcome S.A. (ES) 2002-08-07 EP disclosed
WO-2001034583-A1 ANTIFUNGAL SORDARICIN DERIVATIVES GLAXO WELLCOME SA (ES) 2001-05-17 WO disclosed
EP-1077959-A1 MORPHOLINO ETHERS Glaxo Wellcome S.A. (ES) 2001-02-28 EP disclosed
WO-1999058512-A1 MORPHOLINO ETHERS GLAXO WELLCOME S.A. (ES) 1999-11-18 WO disclosed