SCHEMBL3543133

SCHEMBL3543133

O=C(c1csc(-c2cccc(Cl)c2Cl)n1)N1CC[C@H]2CCCC=C2C1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.66
TLR7 Q9NYK1 1/20 0.43
PANK3 Q9H999 1/20 0.41
TRPC3 Q13507 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
SCD5 Q86SK9 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3537833 1.00 HTR2C (0.66) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL3539684 0.83 PTGDR2 (0.48) HTR2CTRPC3TRPC6SCD5ALDH1A1
SCHEMBL3542012 0.83 HTR2C (0.43) HTR2CTRPC3TRPC6SCD5
SCHEMBL3545036 0.82 ALDH1A1 (0.46) HTR2CTRPC3TRPC6ALDH1A1NPC1
SCHEMBL3536849 0.81 HTR2C (0.60) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL3537336 0.78 HTR2C (1.00) HTR2CTLR7PANK3ALDH1A1NPC1
SCHEMBL3537862 0.78 HTR2C (1.00) HTR2CTLR7PANK3ALDH1A1NPC1
SCHEMBL3537831 0.77 HTR2C (0.72) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL3543127 0.77 HTR2C (0.72) HTR2CTLR7PANK3TRPC3TRPC6
SCHEMBL3547001 0.77 PIM1 (0.41) HTR2CTRPC3TRPC6

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 5 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
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
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