SCHEMBL19112976

SCHEMBL19112976

CC(C)P(C)ONCCN1CCC(CNC(=O)c2cccc(OC(C)(C)C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.51
CACNA1I Q9P0X4 6/20 0.51
CCR3 P51677 2/20 0.49
CACNA1H O95180 1/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL20056382 0.92 CCR3 (0.48) KCNH2CACNA1ICCR3CYP2C9CYP2C19
SCHEMBL19112971 0.86 CACNA1I (0.64) KCNH2CACNA1ICACNA1HCYP2D6LMNA
SCHEMBL19113153 0.85 KDM4E (0.51) KCNH2CACNA1ICCR3KDM4EPKM
SCHEMBL16459142 0.85 KCNH2 (0.56) KCNH2CACNA1ICCR3CACNA1HCYP2D6
SCHEMBL4276834 0.83 KCNH2 (0.52) KCNH2CACNA1ICCR3CACNA1HCYP2D6
SCHEMBL4275627 0.83 KCNH2 (0.55) KCNH2CACNA1ICCR3CACNA1HCYP2D6
SCHEMBL4275154 0.81 KCNH2 (0.52) KCNH2CACNA1ICCR3CACNA1HCYP2D6
SCHEMBL4272474 0.78 KCNH2 (0.55) KCNH2CACNA1ICCR3CACNA1HCYP2D6
SCHEMBL19113045 0.77 CARM1 (0.56) KCNH2CACNA1ICCR3CYP2C9CYP2C19
SCHEMBL4271586 0.77 KCNH2 (0.52) KCNH2CACNA1ICCR3CACNA1HCYP2D6

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 3 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
EP-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed