SCHEMBL19112812

SCHEMBL19112812

N#CC1CCN(CC(=O)N2CCC(CNC(=O)c3cc(P)cc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.52
CACNA1I Q9P0X4 10/20 0.52
RORC P51449 2/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CCR2 P41597 1/20 0.39
DPP4 P27487 2/20 0.38
CTSS P25774 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
SCHEMBL4277752 0.94 KCNH2 (0.58) KCNH2CACNA1IRORCCACNA1GCACNA1H
SCHEMBL4276878 0.94 KCNH2 (0.58) KCNH2CACNA1IRORCCACNA1GCACNA1H
SCHEMBL20056383 0.91 KCNH2 (0.54) KCNH2CACNA1IRORCCACNA1GCACNA1H
SCHEMBL4276594 0.90 KCNH2 (0.52) KCNH2CACNA1IRORCCACNA1GCACNA1H
SCHEMBL20056337 0.85 KCNH2 (0.57) KCNH2CACNA1IRORCCACNA1GCACNA1H
SCHEMBL19113391 0.83 KCNH2 (0.57) KCNH2CACNA1IRORCCACNA1GCACNA1H
SCHEMBL4269237 0.83 KCNH2 (0.64) KCNH2CACNA1IRORCCACNA1GCACNA1H
SCHEMBL4279329 0.82 KCNH2 (0.62) KCNH2CACNA1IRORCCACNA1GCACNA1H
SCHEMBL4274259 0.82 KCNH2 (0.62) KCNH2CACNA1IRORCCACNA1GCACNA1H
SCHEMBL4274233 0.82 KCNH2 (0.62) KCNH2CACNA1IRORCCACNA1GCACNA1H

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