SCHEMBL8842005

SCHEMBL8842005

CCCCCc1nc(Cc2ccccc2)nn1Cc1ccc(-c2ccncc2-c2nnn[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.50
AGTR2 P50052 10/20 0.50

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
SCHEMBL8841643 0.97 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8841357 0.97 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8841938 0.94 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8841871 0.94 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8841815 0.93 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9528241 0.92 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8841379 0.92 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8841939 0.91 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8842069 0.91 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8842248 0.91 AGTR1 (0.56) 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-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
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