SCHEMBL8841983

SCHEMBL8841983

CCCCCc1nc(C(=O)c2ccccc2)nn1Cc1ccc(-c2ccccc2C(=O)O)nc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.56
AGTR2 P50052 13/20 0.56
PPARG P37231 3/20 0.48

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
SCHEMBL8841370 0.97 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8841691 0.94 PPARG (0.49) AGTR1AGTR2PPARG
SCHEMBL8841487 0.90 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL8841330 0.89 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL8841634 0.89 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL6007367 0.89 AGTR1 (0.69) AGTR1AGTR2PPARG
SCHEMBL8841695 0.89 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL8842129 0.87 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL8842222 0.87 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8841338 0.87 AGTR1 (0.61) AGTR1AGTR2PPARG

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602153-A Method of using 1-arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of a giaucoma disorder G.D. SEARLE & CO. (US) 1997-02-11 US disclosed
US-5563139-A Method of using 1-arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of a glaucoma disorder G. D. SEARLE & CO. (US) 1996-10-08 US disclosed
EP-0508445-B1 1-Arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of circulatory disorders SEARLE & CO (US) 1996-06-12 EP disclosed
EP-0619819-B1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1996-06-12 EP disclosed
EP-0619819-A1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1994-10-19 EP disclosed
WO-1992018092-A2 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-29 WO disclosed
EP-0508445-A1 1-Arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP disclosed
US-5155117-A Hypotensive agents G. D. SEARLE & CO. (US) 1992-10-13 US disclosed