SCHEMBL20056410

SCHEMBL20056410

CC(C)(C)C(=P)NCCN1CCC(CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 16/20 0.66
KCNH2 Q12809 15/20 0.66
CACNA1H O95180 4/20 0.65
CYP2D6 P10635 3/20 0.65
CACNA1G O43497 1/20 0.53
CCR2 P41597 1/20 0.47

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
SCHEMBL4269542 0.93 CACNA1I (0.67) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL13569869 0.91 CACNA1I (0.63) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4271477 0.88 CACNA1I (0.62) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL22019442 0.86 CACNA1I (0.71) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4272178 0.86 CACNA1I (0.77) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL14770038 0.86 CACNA1I (0.62) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4278588 0.86 CACNA1I (0.59) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL19113071 0.85 CACNA1I (0.60) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4275111 0.84 CACNA1I (0.59) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4285578 0.84 KCNH2 (0.78) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G

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 2 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