SCHEMBL22019440

SCHEMBL22019440

C=C(CC1CCN(CC(NC(=C)OCC)C(C)(C)C)CC1)NCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 11/20 0.39
KCNH2 Q12809 10/20 0.39
CXCR4 P61073 2/20 0.32
CACNA1H O95180 2/20 0.32
CYP2D6 P10635 2/20 0.32
ENPP2 Q13822 1/20 0.31
CCR3 P51677 1/20 0.30
BCHE P06276 2/20 0.30
ACHE P22303 2/20 0.30

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
SCHEMBL19112803 0.91 CACNA1I (0.42) CACNA1IKCNH2CACNA1HCYP2D6ENPP2
SCHEMBL4278734 0.82 CACNA1I (0.43) CACNA1IKCNH2CACNA1HCYP2D6ENPP2
SCHEMBL4275836 0.77 CACNA1I (0.46) CACNA1IKCNH2CACNA1HCYP2D6ENPP2
SCHEMBL4272368 0.75 CACNA1I (0.44) CACNA1IKCNH2CACNA1HCYP2D6ENPP2
SCHEMBL4272767 0.75 CACNA1I (0.42) CACNA1IKCNH2CACNA1HCYP2D6ENPP2
SCHEMBL19112992 0.74 CACNA1I (0.47) CACNA1IKCNH2CACNA1HCYP2D6ENPP2
SCHEMBL19112805 0.74 CACNA1I (0.48) CACNA1IKCNH2CACNA1HCYP2D6ENPP2
SCHEMBL4270993 0.72 CACNA1I (0.45) CACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4269196 0.71 CACNA1I (0.46) CACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4275588 0.71 CACNA1I (0.45) CACNA1IKCNH2CACNA1HCYP2D6

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-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS PRAXIS PREC MEDICINES INC (US) 2020-05-20 EP disclosed