SCHEMBL23747425

SCHEMBL23747425

C=C(Cc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1)N1CCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.61
HTR2A P28223 1/20 0.61
MCHR1 Q99705 1/20 0.61
RAB9A P51151 2/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 1/20 0.59
NAMPT P43490 5/20 0.55
LSS P48449 1/20 0.55
ERCC1 P07992 1/20 0.53
ERCC4 Q92889 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CNR1 P21554 4/20 0.50
EPHX2 P34913 1/20 0.49

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
SCHEMBL23747313 0.89 CHRM1 (0.62) CHRM1HTR2AMCHR1RAB9APOLB
SCHEMBL23747684 0.86 CHRM1 (0.65) CHRM1HTR2AMCHR1RAB9APOLB
SCHEMBL23747730 0.79 RORC (0.72) CHRM1HTR2AMCHR1RAB9APOLB
SCHEMBL19570474 0.79 RORC (0.72) CHRM1HTR2AMCHR1RAB9APOLB
SCHEMBL23747449 0.78 RAB9A (0.74) CHRM1HTR2AMCHR1RAB9APOLB
SCHEMBL23727986 0.76 RAB9A (0.75) CHRM1HTR2AMCHR1RAB9APOLB
SCHEMBL23727642 0.76 RAB9A (0.75) CHRM1HTR2AMCHR1RAB9APOLB
SCHEMBL5113946 0.76 MCHR1 (1.00) CHRM1HTR2AMCHR1RAB9APOLB
SCHEMBL23747699 0.76 RAB9A (0.70) CHRM1HTR2AMCHR1RAB9APOLB
SCHEMBL23747520 0.74 RAB9A (0.73) CHRM1HTR2AMCHR1RAB9APOLB

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
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed