SCHEMBL19112786

SCHEMBL19112786

CC(F)(F)c1cc(F)cc(C(=O)NCC2CCN(CCNC(=O)C3CCCC3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 15/20 0.56
KCNH2 Q12809 13/20 0.56
CACNA1H O95180 4/20 0.51
CYP2D6 P10635 3/20 0.51
CACNA1G O43497 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4269502 0.93 KCNH2 (0.60) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL20056435 0.91 CACNA1I (0.51) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4283918 0.89 KCNH2 (0.51) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL20056198 0.87 KCNH2 (0.56) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL4275239 0.87 KCNH2 (0.49) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4280767 0.86 KCNH2 (0.67) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL4271103 0.85 CACNA1I (0.60) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4279194 0.84 ACKR3 (0.48) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4283872 0.83 CACNA1I (0.68) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4276548 0.82 KCNH2 (0.70) 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-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed