SCHEMBL7303850

SCHEMBL7303850

NS(=O)(=O)c1ccc(C=CCN2CCC(=C3c4ccccc4CSc4ccccc43)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
TCF4 P15884 1/20 0.43
CTNNB1 P35222 1/20 0.43
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 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
SCHEMBL7303847 1.00 FNTA (0.44) FNTAFNTBTCF4CTNNB1MAPK1
SCHEMBL7310123 0.88 TCF4 (0.47) TCF4CTNNB1MAPK1CHRM2HTR1A
SCHEMBL7306999 0.88 TCF4 (0.48) FNTAFNTBTCF4CTNNB1MAPK1
SCHEMBL7306992 0.88 TCF4 (0.48) FNTAFNTBTCF4CTNNB1MAPK1
SCHEMBL7302193 0.87 FNTA (0.46) FNTAFNTBMAPK1CHRM2HTR1A
SCHEMBL7302187 0.87 FNTA (0.46) FNTAFNTBMAPK1CHRM2HTR1A
SCHEMBL7308575 0.85 FNTA (0.44) FNTAFNTBMAPK1CHRM2HTR1A
SCHEMBL7308567 0.85 FNTA (0.44) FNTAFNTBMAPK1CHRM2HTR1A
SCHEMBL7299791 0.82 TCF4 (0.43) TCF4CTNNB1MAPK1PTGS1PTGS2
SCHEMBL7299796 0.82 TCF4 (0.43) TCF4CTNNB1MAPK1PTGS1PTGS2

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
JP-5208976-A None JP disclosed
EP-0530016-B1 Piperidine derivative and pharmaceutical composition containing it AJINOMOTO KK (JP) 1995-08-02 EP disclosed
JP-H05208976-A PIPERIDINE DERIVATIVE AND ANTIHYPERTENSIVE AGENT CONTAINING THE SAME DERIVATIVE AJINOMOTO CO INC 1993-08-20 JP disclosed
EP-0530016-A2 Piperidine derivative and pharmaceutical composition containing it Ajinomoto Co., Inc. (JP) 1993-03-03 EP disclosed