SCHEMBL3936618

SCHEMBL3936618

Cc1cc(NC(=O)NCCN2CCC(N(C)S(=O)(=O)c3ccc(Cl)s3)CC2)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
UTS2R Q9UKP6 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAMPT P43490 2/20 0.36
NPC1 O15118 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL302022 0.92 CNR1 (0.40) CNR1MAPTTP53UTS2RSMN1; SMN2
SCHEMBL3941457 0.91 CNR1 (0.39) CNR1MAPTTP53UTS2RSMN1; SMN2
SCHEMBL3935356 0.86 MAPT (0.39) CNR1MAPTTP53UTS2RSMN1; SMN2
SCHEMBL3937222 0.85 DRD2 (0.45) CNR1MAPTUTS2RSMN1; SMN2NAMPT
SCHEMBL3554924 0.85 L3MBTL1 (0.51) CNR1MAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL3562364 0.84 L3MBTL1 (0.43) CNR1TP53SMN1; SMN2L3MBTL1NAMPT
SCHEMBL3562457 0.84 HTR2A (0.53) CNR1MAPTTP53UTS2RADRA2A
SCHEMBL3565549 0.83 HTR2A (0.49) MAPTUTS2RL3MBTL1NAMPTADRA2A
SCHEMBL3563376 0.83 HTR2A (0.51) TP53SMN1; SMN2L3MBTL1NAMPTHTR2A
SCHEMBL3564316 0.83 HTR2A (0.55) CNR1MAPTTP53UTS2RL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed