SCHEMBL20056166

SCHEMBL20056166

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 15/20 0.65
KCNH2 Q12809 13/20 0.65
CACNA1H O95180 3/20 0.52
CYP2D6 P10635 2/20 0.52
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR2 P41597 1/20 0.43
CACNA1G O43497 1/20 0.42

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
SCHEMBL22019442 0.95 CACNA1I (0.71) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL19112854 0.92 CACNA1I (0.54) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL19112685 0.92 CACNA1I (0.66) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL20056295 0.90 CACNA1I (0.63) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL4276378 0.87 CACNA1I (0.72) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL13569793 0.85 CACNA1I (0.70) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL4272178 0.83 CACNA1I (0.77) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL4274781 0.83 CACNA1I (0.75) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL20056410 0.82 CACNA1I (0.66) CACNA1IKCNH2CACNA1HCYP2D6CCR2
SCHEMBL4271203 0.82 CACNA1I (0.74) CACNA1IKCNH2CACNA1HCYP2D6MEN1

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
EP-2300007-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TARO PHARMACEUTICALS INC (CA) 2018-04-18 EP disclosed