SCHEMBL23747685

SCHEMBL23747685

C=C(NCc1ccc(Cl)cc1)Nc1ccc(CC(=O)N2CC[C@@H]2CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
ALOX5 P09917 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
MCHR1 Q99705 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.40
LSS P48449 1/20 0.39

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
SCHEMBL26099423 0.90 RAB9A (0.53) HPGDCHRM1HTR2AMCHR1RAB9A
SCHEMBL26098898 0.90 RAB9A (0.53) HPGDCHRM1HTR2AMCHR1RAB9A
SCHEMBL26102746 0.85 HPGD (0.48) HPGDALOX5HRH3MAPTRAB9A
SCHEMBL26103046 0.85 HPGD (0.48) HPGDALOX5HRH3MAPTRAB9A
SCHEMBL26098540 0.84 CHRM1 (0.53) HPGDCHRM1HTR2AMCHR1HRH3
SCHEMBL23747606 0.84 CHRM1 (0.53) HPGDCHRM1HTR2AMCHR1HRH3
SCHEMBL26102617 0.80 RAB9A (0.53) RAB9APOLBNPC1ALDH1A1
SCHEMBL26097964 0.80 RAB9A (0.53) RAB9APOLBNPC1ALDH1A1
SCHEMBL26103379 0.79 HPGD (0.52) HPGDHRH3MAPTNPC1
SCHEMBL26102133 0.78 CHRM1 (0.49) 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