SCHEMBL9533000

SCHEMBL9533000

O=c1[nH]ccn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.37
AGTR2 P50052 5/20 0.37
ALDH1A1 P00352 1/20 0.35
DBH P09172 1/20 0.35

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
SCHEMBL7694500 0.84 PRMT5 (0.30)
SCHEMBL7688429 0.84 IL4I1 (0.38) AGTR1AGTR2
SCHEMBL9177521 0.81 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9534518 0.80 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8543595 0.79 CASP3 (0.46)
SCHEMBL8120413 0.78 ALDH1A1 (0.34) AGTR1AGTR2ALDH1A1
SCHEMBL8813188 0.76 AGTR1 (0.36) AGTR1
SCHEMBL8812892 0.76 CYP17A1 (0.36) AGTR1AGTR2
SCHEMBL446251 0.76 LIMK2 (0.44) AGTR1AGTR2ALDH1A1
SCHEMBL9179707 0.76 HTT (0.45) AGTR1AGTR2ALDH1A1

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
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed