SCHEMBL7272376

SCHEMBL7272376

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.53
CACNA1F O60840 2/20 0.46
CACNA1D Q01668 2/20 0.46
CACNA1S Q13698 2/20 0.46
CACNA1C Q13936 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
PDE1C Q14123 1/20 0.45

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
SCHEMBL28762620 0.88 CACNA1B (0.51) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7272316 0.86 CACNA1F (0.62) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9617833 0.86 CACNA1F (0.62) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL27286151 0.86 MAPT (0.55) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4503644 0.86 CACNA1B (0.65) CACNA1B
SCHEMBL11363662 0.85 CACNA1F (0.67) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7371573 0.84 CACNA1F (0.43) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7266648 0.83 CACNA1C (0.49) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL27785616 0.83 CACNA1B (0.48) CACNA1BPDE1C
SCHEMBL27763850 0.83 CACNA1B (0.43) CACNA1B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350762-B1 SELECTIVELY INHIBIT THE ACTION OF N-TYPE CALCIUM CHANNEL; AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
CN-1283187-A Novel dipydropyridine derivative AJINOMOTO KK (JP) 2001-02-07 CN disclosed
EP-1043314-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-10-11 EP disclosed
CN-1261348-A Dihydropyridine derivatives AJINOMTO CO INC (JP) 2000-07-26 CN disclosed
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
US-4876254-A CARDIOVASCULAR DISORDERS, HYPERTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed
EP-0287867-A1 Substituted 5-nitro-1,4-dihydropyridines, method for their preparation and their use BAYER AG (DE) 1988-10-26 EP disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed
CN-85101692-A Prepare method of 3-nitro-dihydro-pyridine and uses thereof 1987-01-24 CN disclosed