SCHEMBL9872262

SCHEMBL9872262

CCOC(=O)C1=C(C)NC(c2ccccc2)=CC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 14/20 1.00
ADORA3 P0DMS8 5/20 0.57
CACNA1F O60840 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52
CACNA1B Q00975 1/20 0.52

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
SCHEMBL9873467 0.89 CACNA1D (0.80) CACNA1DADORA3CACNA1FCACNA1SCACNA1C
SCHEMBL9875091 0.80 CACNA1D (0.72) CACNA1DADORA3CACNA1FCACNA1SCACNA1C
SCHEMBL11798629 0.79 CACNA1D (0.65) CACNA1DADORA3CACNA1FCACNA1SCACNA1C
SCHEMBL3027749 0.77 ADORA3 (0.90) CACNA1DADORA3CACNA1FCACNA1SCACNA1C
SCHEMBL11802006 0.76 CACNA1D (0.77) CACNA1DADORA3
SCHEMBL9433876 0.74 CACNA1D (0.58) CACNA1DADORA3CACNA1FCACNA1SCACNA1C
SCHEMBL11008647 0.74 CACNA1C (0.72) CACNA1DADORA3CACNA1FCACNA1SCACNA1C
SCHEMBL7159073 0.73 ADORA3 (1.00) CACNA1DADORA3CACNA1FCACNA1SCACNA1C
SCHEMBL19752618 0.72 CA12 (0.68) ADORA3
SCHEMBL5339709 0.72 CA12 (0.68) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0228845-B1 N-CONTAINING HETEROCYCLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0228845-A2 N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-15 EP disclosed