SCHEMBL20056313

SCHEMBL20056313

CCN1CCC(CNC(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 11/20 0.62
KCNH2 Q12809 10/20 0.62
GSK3B P49841 1/20 0.48
ADCY8 P40145 1/20 0.47
ADCY1 Q08828 1/20 0.47
EPHX2 P34913 1/20 0.46
HTR4 Q13639 1/20 0.46
CACNA1H O95180 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
CACNA1G O43497 1/20 0.45

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
SCHEMBL19112534 0.89 CACNA1I (0.65) CACNA1IKCNH2GSK3BADCY8ADCY1
SCHEMBL13569699 0.87 KCNH2 (0.63) CACNA1IKCNH2GSK3BADCY8ADCY1
SCHEMBL19113048 0.86 KCNH2 (0.62) CACNA1IKCNH2GSK3BADCY8ADCY1
SCHEMBL4278216 0.86 KCNH2 (0.64) CACNA1IKCNH2GSK3BHTR4CACNA1H
SCHEMBL4275269 0.86 CACNA1I (0.64) CACNA1IKCNH2GSK3BCACNA1HCACNA1G
SCHEMBL19113054 0.85 TDP1 (0.59) CACNA1IKCNH2ADCY8ADCY1CACNA1H
SCHEMBL19112469 0.85 KCNH2 (0.60) CACNA1IKCNH2GSK3BADCY8ADCY1
SCHEMBL20056147 0.84 CACNA1I (0.62) CACNA1IKCNH2CACNA1HPOLBKMT2A
SCHEMBL4276558 0.84 CACNA1I (0.64) CACNA1IKCNH2GSK3BHTR4CACNA1H
SCHEMBL4280376 0.84 KCNH2 (0.59) CACNA1IKCNH2GSK3BADCY8ADCY1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189839-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS PRAXIS PREC MEDICINES INC (US) 2020-05-20 EP disclosed
EP-2300007-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TARO PHARMACEUTICALS INC (CA) 2018-04-18 EP disclosed