SCHEMBL8106874

SCHEMBL8106874

CCCc1cn(-c2c(C(C)C)cccc2C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.62
AGTR2 P50052 12/20 0.62
USP1 O94782 2/20 0.32

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
SCHEMBL8119040 0.96 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL8123747 0.95 AGTR1 (0.68) AGTR1AGTR2USP1
SCHEMBL8119127 0.94 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL8117357 0.92 AGTR1 (0.63) AGTR1AGTR2USP1
SCHEMBL8116103 0.92 AGTR1 (0.63) AGTR1AGTR2USP1
SCHEMBL8122430 0.92 AGTR1 (0.63) AGTR1AGTR2USP1
SCHEMBL8109200 0.91 AGTR1 (0.62) AGTR1AGTR2USP1
SCHEMBL8118602 0.91 AGTR1 (0.62) AGTR1AGTR2USP1
SCHEMBL8116445 0.91 AGTR1 (0.62) AGTR1AGTR2USP1
SCHEMBL8115500 0.91 AGTR1 (0.56) 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-0664802-B1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 2000-03-15 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