SCHEMBL8841902

SCHEMBL8841902

CCCCCc1nc(C(F)(F)CCC)nn1Cc1ccc(-c2ccccc2C(=O)O)cn1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.52
AGTR2 P50052 10/20 0.52
PPARG P37231 3/20 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
SCHEMBL8842028 0.97 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8841279 0.94 PPARG (0.46) AGTR1AGTR2PPARG
SCHEMBL8841785 0.89 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL6006992 0.89 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL8842285 0.88 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL7334871 0.87 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL8841302 0.87 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8841341 0.86 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL8841689 0.86 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL7337866 0.86 AGTR1 (0.46) 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 7 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
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