SCHEMBL4970437

SCHEMBL4970437

O=CCc1ccccc1-c1nc(C(=O)N2CCC(c3ccccc3)C2)cs1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 6/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCD O00767 2/20 0.45
HTR2C P28335 3/20 0.45
TRPC3 Q13507 1/20 0.44
TRPC6 Q9Y210 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4972171 0.91 SPR (0.44) SCD5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4970419 0.83 HTR2C (0.46) RAB9ANPC1HTR2CTRPC3TRPC6
SCHEMBL4971657 0.83 HTR2C (0.44) HTR2CTRPC3TRPC6
SCHEMBL4974086 0.83 HTR2C (0.60) RAB9ANPC1MAPTSMN1; SMN2HTR2C
SCHEMBL4973462 0.83 HTR2C (0.60) RAB9ANPC1MAPTSMN1; SMN2HTR2C
SCHEMBL4971490 0.83 HTR2C (0.42) SCD5SCDHTR2C
SCHEMBL5661659 0.81 SCD5 (0.52) SCD5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4973944 0.78 HPGD (0.42) RAB9ANPC1MAPTSMN1; SMN2HTR2C
SCHEMBL4970307 0.77 CNR1 (0.43) SCD5RAB9ANPC1SMN1; SMN2HTR2C
SCHEMBL4973533 0.77 TRPC3 (0.39) SCD5RAB9ANPC1SCDHTR2C

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