SCHEMBL9007516

SCHEMBL9007516

CCCCC1(C)NC2=C(C(=O)C(O)=C(O)C2=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.37
AGTR2 P50052 5/20 0.37
LTB4R2 Q9NPC1 4/20 0.37

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
SCHEMBL8900515 0.83 AGTR1 (0.36) AGTR1AGTR2LTB4R2
SCHEMBL9007481 0.82 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL9248296 0.73 AGTR1 (0.48) AGTR1AGTR2LTB4R2
SCHEMBL6111797 0.71 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9541024 0.71 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL6112511 0.71 AGTR1 (0.33) AGTR1AGTR2LTB4R2
SCHEMBL30929294 0.71 AGTR1 (0.43) AGTR1AGTR2LTB4R2
SCHEMBL9252048 0.70 AGTR1 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL9533532 0.70 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL2052910 0.70 AGTR1 (0.38) 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
US-5506361-A ACTS BOTH AS AN ANGIOTENSIN II ANTAGONIST AND A LIPIDPEROXIDATION INHIBITOR THEUPJOHN COMPANY (US) 1996-04-09 US claimed
WO-1992019211-A2 IMIDAZOBENZOQUINONES AND COMPOSITION FOR PREVENTING OR TREATING HYPERTENSION OR CONGESTIVE HEART FAILURE CONTAINING THE SAME THE UPJOHN COMPANY (US) 1992-11-12 WO claimed
US-5506361-A ACTS BOTH AS AN ANGIOTENSIN II ANTAGONIST AND A LIPIDPEROXIDATION INHIBITOR THEUPJOHN COMPANY (US) 1996-04-09 US disclosed