SCHEMBL19112805

SCHEMBL19112805

CNC(CN1CCC(CC(=O)NCc2cc(Cl)cc(Cl)c2)CC1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 14/20 0.48
KCNH2 Q12809 12/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CACNA1H O95180 3/20 0.39
CYP2D6 P10635 2/20 0.39
TACR1 P25103 1/20 0.37
CACNA1G O43497 2/20 0.37
CHRM2 P08172 1/20 0.37
HRH1 P35367 1/20 0.37
HTR4 Q13639 1/20 0.37
CACNA1C Q13936 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL19112992 0.90 CACNA1I (0.47) CACNA1IKCNH2NPC1RAB9ACACNA1H
SCHEMBL4269196 0.88 CACNA1I (0.46) CACNA1IKCNH2NPC1RAB9ACACNA1H
SCHEMBL4275836 0.88 CACNA1I (0.46) CACNA1IKCNH2NPC1RAB9ACACNA1H
SCHEMBL4270993 0.87 CACNA1I (0.45) CACNA1IKCNH2NPC1RAB9ACACNA1H
SCHEMBL19113214 0.86 KCNH2 (0.44) CACNA1IKCNH2NPC1RAB9ACACNA1H
SCHEMBL4278887 0.86 CACNA1I (0.46) CACNA1IKCNH2NPC1RAB9ACACNA1H
SCHEMBL4272368 0.86 CACNA1I (0.44) CACNA1IKCNH2NPC1RAB9ACACNA1H
SCHEMBL4282732 0.86 CACNA1I (0.44) CACNA1IKCNH2NPC1RAB9ACACNA1H
SCHEMBL4273159 0.86 CACNA1I (0.49) CACNA1IKCNH2NPC1RAB9ACACNA1H
SCHEMBL4275588 0.86 CACNA1I (0.45) CACNA1IKCNH2NPC1RAB9ACACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189839-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS PRAXIS PREC MEDICINES INC (US) 2020-05-20 EP disclosed
EP-2300007-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TARO PHARMACEUTICALS INC (CA) 2018-04-18 EP disclosed
EP-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed