SCHEMBL23747697

SCHEMBL23747697

CN1CCN(Cc2ccc(NCNCc3ccc(Cl)cc3)cc2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ALOX12 P18054 1/20 0.40
CACNA1G O43497 1/20 0.40
SLC2A1 P11166 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CHRM1 P11229 2/20 0.38
HTR2A P28223 2/20 0.38
MCHR1 Q99705 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CLPP Q16740 2/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 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
SCHEMBL26101837 0.80 CHRM1 (0.62) CACNA1GCHRM1HTR2AMCHR1MEN1
SCHEMBL23747740 0.79 L3MBTL1 (0.40) L3MBTL1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL24024157 0.77 NOD1 (0.62) CACNA1GMEN1CYP1A2CYP2C9RAB9A
SCHEMBL31043587 0.74 CACNA1G (0.48) CACNA1GMEN1RAB9AKMT2AGAA
SCHEMBL26100896 0.73 CHRM1 (0.53) CACNA1GCHRM1HTR2AMCHR1MEN1
SCHEMBL3401709 0.71 LMNA (0.60) ALOX12SLC2A1CA2MCHR1SIGMAR1
SCHEMBL12642576 0.71 PIK3CD (0.47) L3MBTL1CA12CA2CA9MCHR1
SCHEMBL221818 0.71 MC4R (0.58) SLC2A1MCHR1SIGMAR1DRD4MEN1
SCHEMBL23747465 0.71 HTR2A (0.48) CHRM1HTR2AMCHR1MEN1RAB9A
SCHEMBL23747463 0.70 CHRM1 (0.45) L3MBTL1CACNA1GCHRM1HTR2AMCHR1

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