SCHEMBL8116455

SCHEMBL8116455

CCCCc1cn(-c2c(OC)cccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.67
AGTR2 P50052 14/20 0.67
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL8116024 0.96 AGTR1 (0.61) AGTR1AGTR2CYP11B1CYP11B2
SCHEMBL8114931 0.94 AGTR1 (0.61) AGTR1AGTR2CYP11B1CYP11B2
SCHEMBL8108495 0.94 AGTR1 (0.76) AGTR1AGTR2
SCHEMBL8122771 0.91 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL8106356 0.91 AGTR1 (0.67) AGTR1AGTR2CYP11B1CYP11B2
SCHEMBL8107012 0.91 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL8117036 0.91 AGTR1 (0.66) AGTR1AGTR2CYP11B1CYP11B2
SCHEMBL8108371 0.90 AGTR1 (0.58) AGTR1AGTR2CYP11B1CYP11B2
SCHEMBL8121193 0.90 AGTR1 (0.58) AGTR1AGTR2CYP11B1CYP11B2
SCHEMBL8109411 0.90 AGTR1 (0.69) 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