SCHEMBL8841279

SCHEMBL8841279

CCCc1nc(C(F)(F)CCC)nn1Cc1ccc(-c2ccccc2C(=O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
AGTR1 P30556 2/20 0.45
AGTR2 P50052 2/20 0.45

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 0.95 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8841902 0.94 AGTR1 (0.52) PPARGAGTR1AGTR2
SCHEMBL8841392 0.89 AGTR1 (0.47) PPARGAGTR1AGTR2
SCHEMBL6006247 0.88 AGTR1 (0.58) PPARGAGTR1AGTR2
SCHEMBL8842494 0.88 AGTR1 (0.43) PPARGAGTR1AGTR2
SCHEMBL7342561 0.86 AGTR1 (0.39) PPARGAGTR1AGTR2
SCHEMBL8841564 0.86 AGTR1 (0.49) PPARGAGTR1AGTR2
SCHEMBL8842022 0.85 AGTR1 (0.48) PPARGAGTR1AGTR2
SCHEMBL7337866 0.85 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8841951 0.85 AGTR1 (0.48) PPARGAGTR1AGTR2

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-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-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-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