SCHEMBL19112829

SCHEMBL19112829

COC1CCN(CC(=O)N2CCC(CNC(=O)c3cc(F)cc(C(F)(F)P)c3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 12/20 0.49
CACNA1G O43497 1/20 0.49
CACNA1H O95180 1/20 0.49
KCNH2 Q12809 15/20 0.46
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL4271076 0.93 KCNH2 (0.55) CACNA1ICACNA1GCACNA1HKCNH2
SCHEMBL4270195 0.87 KCNH2 (0.61) CACNA1ICACNA1GCACNA1HKCNH2
SCHEMBL4285626 0.87 KCNH2 (0.61) CACNA1ICACNA1GCACNA1HKCNH2
SCHEMBL4274763 0.82 KCNH2 (0.57) CACNA1ICACNA1GCACNA1HKCNH2
SCHEMBL19113176 0.82 KCNH2 (0.58) CACNA1ICACNA1GCACNA1HKCNH2
SCHEMBL4277349 0.82 KCNH2 (0.56) CACNA1ICACNA1GCACNA1HKCNH2
SCHEMBL4275313 0.82 KCNH2 (0.56) CACNA1ICACNA1GCACNA1HKCNH2
SCHEMBL4276605 0.81 KCNH2 (0.58) CACNA1ICACNA1GCACNA1HKCNH2
SCHEMBL13569757 0.81 KCNH2 (0.55) CACNA1ICACNA1GCACNA1HKCNH2
SCHEMBL19113096 0.80 KCNH2 (0.60) CACNA1ICACNA1GCACNA1HKCNH2

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