SCHEMBL22019049

SCHEMBL22019049

CC(N)CN1CCC(CC(=O)NCc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 9/20 0.47
KCNH2 Q12809 6/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TACR1 P25103 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ENPP2 Q13822 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38

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
SCHEMBL22019050 0.89 CACNA1I (0.48) CACNA1IKCNH2NPC1RAB9ATACR1
SCHEMBL4273159 0.88 CACNA1I (0.49) CACNA1IKCNH2NPC1RAB9ATACR1
SCHEMBL22018853 0.84 RAB9A (0.50) CACNA1IKCNH2NPC1RAB9AENPP2
SCHEMBL19112805 0.83 CACNA1I (0.48) CACNA1IKCNH2NPC1RAB9ATACR1
SCHEMBL19112992 0.81 CACNA1I (0.47) CACNA1IKCNH2NPC1RAB9ATACR1
SCHEMBL19113214 0.80 KCNH2 (0.44) CACNA1IKCNH2NPC1RAB9AENPP2
SCHEMBL4282732 0.80 CACNA1I (0.44) CACNA1IKCNH2NPC1RAB9ACA12
SCHEMBL4269196 0.79 CACNA1I (0.46) CACNA1IKCNH2NPC1RAB9ACA12
SCHEMBL4275836 0.79 CACNA1I (0.46) CACNA1IKCNH2NPC1RAB9AENPP2
SCHEMBL4270993 0.79 CACNA1I (0.45) CACNA1IKCNH2NPC1RAB9ACA12

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