SCHEMBL9532996

SCHEMBL9532996

O=C1N=CCN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.36
AGTR2 P50052 4/20 0.35
GRM2 Q14416 3/20 0.34

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
SCHEMBL9533005 0.82 POLB (0.47) AGTR1AGTR2GRM2
SCHEMBL8543595 0.79 CASP3 (0.46)
SCHEMBL29383126 0.79 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL6556670 0.79 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL6962635 0.76 AKT1 (0.36) AGTR1AGTR2
SCHEMBL3376281 0.76 TRPA1 (0.35) AGTR1AGTR2
SCHEMBL29366164 0.76 TRPA1 (0.35) AGTR1AGTR2
SCHEMBL8702000 0.75 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9533000 0.74 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL588365 0.74 AGTR1 (0.41) AGTR1AGTR2

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-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed