SCHEMBL9530841

SCHEMBL9530841

CCCC1=C(C=O)N(CCC2CCCCC2)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.44
AGTR2 P50052 4/20 0.44
SLC33A1 O00400 2/20 0.34
LTB4R2 Q9NPC1 1/20 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
SCHEMBL9530681 0.96 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL9531210 0.90 AGTR1 (0.43) AGTR1AGTR2SLC33A1LTB4R2
SCHEMBL9531392 0.88 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9531666 0.85 AGTR1 (0.48) AGTR1AGTR2LTB4R2
SCHEMBL9705372 0.85 AGTR1 (0.48) AGTR1AGTR2LTB4R2
SCHEMBL9705048 0.84 AGTR1 (0.34) AGTR1AGTR2SLC33A1
SCHEMBL9705092 0.84 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL9530734 0.83 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9535036 0.81 AGTR1 (0.37) AGTR1AGTR2SLC33A1
SCHEMBL9553934 0.80 AGTR2 (0.50) 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 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