SCHEMBL19112876

SCHEMBL19112876

CC(F)(F)Oc1ccc(C(=O)NCC2CCN(CCNC(F)(F)F)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 7/20 0.50
KCNH2 Q12809 6/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CACNA1H O95180 1/20 0.48
CYP2D6 P10635 1/20 0.48
HDAC4 P56524 2/20 0.46
CHRM4 P08173 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 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
SCHEMBL13569794 0.85 CACNA1I (0.50) CACNA1IKCNH2CACNA1HCYP2D6HDAC4
SCHEMBL19113313 0.83 CARM1 (0.56) CACNA1IKCNH2CHRM2CHRM1CACNA1H
SCHEMBL20056282 0.80 CHRM2 (0.55) CACNA1IKCNH2CHRM2CHRM1CACNA1H
SCHEMBL19113186 0.79 CHRM2 (0.55) CACNA1IKCNH2CHRM2CHRM1HDAC4
SCHEMBL4284039 0.79 CHRM2 (0.51) CACNA1IKCNH2CHRM2CHRM1CACNA1H
SCHEMBL4277358 0.78 CHRM2 (0.52) CACNA1IKCNH2CHRM2CHRM1CACNA1H
SCHEMBL19112914 0.78 EPHX2 (0.50) CACNA1IKCNH2CHRM2CHRM1CACNA1H
SCHEMBL13569924 0.78 CACNA1I (0.54) CACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL19112915 0.77 EPHX2 (0.52) CACNA1IKCNH2CHRM2CHRM1CHRM4
SCHEMBL13569699 0.77 KCNH2 (0.63) CACNA1IKCNH2CACNA1HCYP2D6KDM4E

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-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed