SCHEMBL9535036

SCHEMBL9535036

CCCC1=C(C(=O)O)N(CC2CCCCC2)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.37
AGTR2 P50052 4/20 0.37
BRS3 P32247 3/20 0.37
MME P08473 1/20 0.36
SLC33A1 O00400 1/20 0.36

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
SCHEMBL9531392 0.92 AGTR1 (0.43) AGTR1AGTR2BRS3MME
SCHEMBL9531406 0.92 BRS3 (0.37) AGTR1AGTR2BRS3MME
SCHEMBL9530734 0.88 AGTR1 (0.47) AGTR1AGTR2MME
SCHEMBL9531210 0.81 AGTR1 (0.43) AGTR1AGTR2SLC33A1
SCHEMBL9530841 0.81 AGTR1 (0.44) AGTR1AGTR2SLC33A1
SCHEMBL9705048 0.80 AGTR1 (0.34) AGTR1AGTR2BRS3SLC33A1
SCHEMBL9035990 0.79 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9704954 0.79 AGTR1 (0.34) AGTR1AGTR2BRS3MMESLC33A1
SCHEMBL9705039 0.79 AGTR1 (0.35) AGTR1AGTR2BRS3
SCHEMBL9532075 0.78 AGTR1 (0.33) AGTR1AGTR2BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO claimed
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