SCHEMBL19112657

SCHEMBL19112657

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.64
CACNA1I Q9P0X4 10/20 0.64
KMT2A Q03164 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCHR1 Q99705 1/20 0.44
RORC P51449 1/20 0.44

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
SCHEMBL4269237 0.92 KCNH2 (0.64) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL4274637 0.91 KCNH2 (0.62) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL4279329 0.91 KCNH2 (0.62) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL4274259 0.91 KCNH2 (0.62) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL4274233 0.91 KCNH2 (0.62) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL4275245 0.90 KCNH2 (0.65) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL4272256 0.90 KCNH2 (0.65) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL4273219 0.90 KCNH2 (0.61) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL4285626 0.89 KCNH2 (0.61) KCNH2CACNA1ICACNA1GCACNA1HMCHR1
SCHEMBL4270195 0.89 KCNH2 (0.61) KCNH2CACNA1ICACNA1GCACNA1HMCHR1

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