SCHEMBL4970307

SCHEMBL4970307

O=CCc1ccccc1-c1nc(C(=O)N2CCCC3CCCCC32)cs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HTR2C P28335 7/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 5/20 0.38
ACKR3 P25106 1/20 0.38
HSD17B1 P14061 1/20 0.37
SCD5 Q86SK9 1/20 0.37
TRPC3 Q13507 2/20 0.36
TRPC6 Q9Y210 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL3540093 0.89 CNR1 (0.45) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL4973394 0.85 CNR1 (0.41) CNR1CNR2HTR2CACKR3TRPC3
SCHEMBL4970419 0.84 HTR2C (0.46) HTR2CNPC1RAB9ATRPC3TRPC6
SCHEMBL4972781 0.84 HTR2C (0.38) CNR1CNR2HTR2CACKR3TRPC3
SCHEMBL4973873 0.84 RAB9A (0.43) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL4973946 0.83 ACKR3 (0.40) CNR1CNR2HTR2CACKR3SCD5
SCHEMBL4975252 0.83 ACKR3 (0.40) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL3545070 0.82 HTR2C (0.47) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL3541780 0.82 HTR2C (0.57) CNR1CNR2HTR2CNPC1RAB9A
SCHEMBL3538914 0.82 CNR1 (0.51) CNR1CNR2HTR2CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed