SCHEMBL8841592

SCHEMBL8841592

CCCc1nc(C2CCCCC2)nn1Cc1ccc(-c2ccccc2C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.44
AGTR1 P30556 7/20 0.44
AGTR2 P50052 7/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL8841807 0.95 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8841349 0.94 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL6006975 0.88 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL8841881 0.87 BRS3 (0.47) BRS3AGTR1AGTR2PPARG
SCHEMBL7334268 0.86 BRS3 (0.43) BRS3AGTR1AGTR2PPARG
SCHEMBL8842189 0.85 BRS3 (0.47) BRS3AGTR1AGTR2PPARG
SCHEMBL7345590 0.85 AGTR1 (0.45) BRS3AGTR1AGTR2
SCHEMBL8841644 0.85 AGTR1 (0.45) BRS3AGTR1AGTR2PPARG
SCHEMBL8841460 0.84 AGTR1 (0.42) BRS3AGTR1AGTR2PPARG
SCHEMBL7341744 0.84 LTB4R2 (0.43) BRS3AGTR1AGTR2PPARG

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