SCHEMBL8116016

SCHEMBL8116016

CCCCc1cn(-c2c(C)cccc2C(C)=O)c(=O)n1Cc1ccc(-c2ccncc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.47
AGTR2 P50052 7/20 0.47

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
SCHEMBL8122721 0.98 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8106957 0.96 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8116081 0.94 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8117608 0.94 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8117210 0.93 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8118335 0.93 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8121039 0.93 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8122724 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8108142 0.92 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL6492663 0.92 AGTR1 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664802-B1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 2000-03-15 EP disclosed
EP-0664802-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 EP disclosed
WO-1994008990-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1994-04-28 WO disclosed