SCHEMBL4974086

SCHEMBL4974086

O=CCc1ccccc1-c1nc(C(=O)N2CCCCCC2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.60
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIN1 Q13526 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.41
KLF5 Q13887 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4973462 1.00 HTR2C (0.60) HTR2CNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4970419 0.87 HTR2C (0.46) HTR2CNPC1RAB9AKDM4EMEN1
SCHEMBL4971657 0.84 HTR2C (0.44) HTR2C
SCHEMBL4970437 0.83 SCD5 (0.49) HTR2CNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4971490 0.82 HTR2C (0.42) HTR2CGAAPIN1
SCHEMBL4973873 0.80 RAB9A (0.43) HTR2CNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4973944 0.80 HPGD (0.42) HTR2CNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4970307 0.80 CNR1 (0.43) HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL3534768 0.79 HTR2C (0.81) HTR2CNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3542082 0.79 HTR2C (0.81) HTR2CNPC1RAB9ASMN1; SMN2ALDH1A1

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