SCHEMBL4973533

SCHEMBL4973533

O=CCc1ccccc1-c1nc(C(=O)N2CCSCC2c2ccccc2)cs1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
HTR2C P28335 7/20 0.37
SCD O00767 4/20 0.35
SCD5 Q86SK9 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL4972649 0.84 SCD5 (0.47) TRPC3TRPC6HTR2CSCDSCD5
SCHEMBL4973530 0.82 TRPC3 (0.42) TRPC3TRPC6HTR2CSCDSCD5
SCHEMBL27730543 0.81 TRPC3 (0.40) TRPC3TRPC6HTR2CSCDSCD5
SCHEMBL27730542 0.79 TRPC3 (0.41) TRPC3TRPC6HTR2CSCDSCD5
SCHEMBL4970437 0.77 SCD5 (0.49) TRPC3TRPC6HTR2CSCDSCD5
SCHEMBL4970307 0.76 CNR1 (0.43) TRPC3TRPC6HTR2CSCD5NPC1
SCHEMBL4973462 0.75 HTR2C (0.60) HTR2CNPC1RAB9A
SCHEMBL4974086 0.75 HTR2C (0.60) HTR2CNPC1RAB9A
SCHEMBL4973873 0.74 RAB9A (0.43) TRPC3TRPC6HTR2CNPC1RAB9A
SCHEMBL4972781 0.74 HTR2C (0.38) TRPC3TRPC6HTR2CCNR1CNR2

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