SCHEMBL4970419

SCHEMBL4970419

O=CCc1ccccc1-c1nc(C(=O)N2CCCC(C3CCCCC3)C2)cs1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.46
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CLK1 P49759 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GHSR Q92847 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PIN1 Q13526 1/20 0.37
GFER P55789 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
SCHEMBL4974086 0.87 HTR2C (0.60) HTR2CKMT2AKDM4EMEN1NPC1
SCHEMBL4973462 0.87 HTR2C (0.60) HTR2CKMT2AKDM4EMEN1NPC1
SCHEMBL4970307 0.84 CNR1 (0.43) HTR2CTRPC3TRPC6NPC1RAB9A
SCHEMBL4971490 0.84 HTR2C (0.42) HTR2CPIN1
SCHEMBL4970437 0.83 SCD5 (0.49) HTR2CTRPC3TRPC6NPC1RAB9A
SCHEMBL4971657 0.83 HTR2C (0.44) HTR2CTRPC3TRPC6GHSR
SCHEMBL5665652 0.81 HTR2C (0.48) HTR2CTRPC3TRPC6KMT2AKDM4E
SCHEMBL27751154 0.81 HTR2C (0.45) HTR2CTRPC3TRPC6KMT2AKDM4E
SCHEMBL4972171 0.79 SPR (0.44) HTR2CNPC1RAB9A
SCHEMBL27751153 0.79 HTR2C (0.46) HTR2CTRPC3TRPC6KMT2AKDM4E

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