SCHEMBL19113003

SCHEMBL19113003

CNCCN1CCC(CNC(=O)c2cc(C)cc(C)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.55
CACNA1H O95180 2/20 0.55
CYP2D6 P10635 2/20 0.55
CACNA1I Q9P0X4 13/20 0.55
CARM1 Q86X55 3/20 0.49
PRMT6 Q96LA8 3/20 0.49
DRD4 P21917 1/20 0.47

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
SCHEMBL4276583 0.87 KCNH2 (0.61) KCNH2CACNA1HCYP2D6CACNA1IDRD4
SCHEMBL19112707 0.86 CACNA1I (0.74) KCNH2CACNA1HCYP2D6CACNA1I
SCHEMBL19113201 0.86 CACNA1I (0.56) KCNH2CACNA1HCYP2D6CACNA1IDRD4
SCHEMBL14770035 0.86 KCNH2 (0.54) KCNH2CACNA1HCYP2D6CACNA1I
SCHEMBL4275595 0.85 KCNH2 (0.53) KCNH2CACNA1HCYP2D6CACNA1I
SCHEMBL13569937 0.85 KCNH2 (0.51) KCNH2CACNA1HCYP2D6CACNA1I
SCHEMBL13569853 0.85 KCNH2 (0.53) KCNH2CACNA1HCYP2D6CACNA1I
SCHEMBL20056115 0.84 CACNA1I (0.58) KCNH2CACNA1HCYP2D6CACNA1I
SCHEMBL19113215 0.84 CACNA1I (0.52) KCNH2CACNA1HCYP2D6CACNA1I
SCHEMBL4271496 0.84 KCNH2 (0.50) KCNH2CACNA1HCYP2D6CACNA1I

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