SCHEMBL20056299

SCHEMBL20056299

COc1cc(P)cc(C(=O)NCC2CCN(CCNS(=O)(=O)C(F)(F)F)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
CACNA1I Q9P0X4 9/20 0.48
KCNH2 Q12809 9/20 0.48
CACNA1H O95180 2/20 0.46
CYP2D6 P10635 2/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HTR4 Q13639 1/20 0.42
CCR3 P51677 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4279234 0.94 MAPT (0.51) GSK3BCACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4269219 0.91 KCNH2 (0.57) GSK3BCACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4277726 0.91 GSK3B (0.48) GSK3BCACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL8374137 0.91 CACNA1H (0.49) GSK3BCACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4278093 0.90 KCNH2 (0.59) GSK3BCACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL14706527 0.89 GSK3B (0.46) GSK3BCACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4273491 0.86 MAPT (0.52) GSK3BCACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4272829 0.84 CACNA1I (0.53) GSK3BCACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4274433 0.84 CACNA1I (0.49) GSK3BCACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL14770047 0.83 GSK3B (0.63) GSK3BCACNA1IKCNH2CACNA1HCYP2D6

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