SCHEMBL7265666

SCHEMBL7265666

CC1=C(C(=O)O)C(c2cccc(C#N)c2)C([S+]([O-])C(C)C)=C(C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.52
CACNA1D Q01668 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52
NOTCH1 P46531 1/20 0.39
CACNA1B Q00975 12/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
PIN1 Q13526 1/20 0.38
NR1I2 O75469 1/20 0.38
NR3C1 P04150 1/20 0.38
ABCB1 P08183 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TBXA2R P21731 1/20 0.38
AGTR1 P30556 1/20 0.38
CCKBR P32239 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 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
SCHEMBL7275626 0.89 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7267660 0.86 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL6951184 0.85 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7272104 0.83 CACNA1B (0.53) CACNA1B
SCHEMBL7272545 0.80 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7267535 0.80 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7273476 0.80 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7267362 0.80 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7266663 0.79 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7272933 0.79 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1

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