SCHEMBL7272463

SCHEMBL7272463

CCP(CC)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
NOTCH1 P46531 1/20 0.40
CACNA1B Q00975 15/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 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
SCHEMBL7275834 0.87 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL6951184 0.86 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7272933 0.84 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7275261 0.83 CACNA1B (0.54) CACNA1B
SCHEMBL7273476 0.81 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7273470 0.81 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7265662 0.80 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7275778 0.80 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7273971 0.80 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7273867 0.79 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B

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
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed