SCHEMBL8841282

SCHEMBL8841282

CCCc1nc(C(CC)(OC)OC)nn1Cc1ccc(-c2cnccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.34
AGTR2 P50052 7/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL8841538 0.97 AGTR1 (0.36) AGTR1AGTR2PTGDR2
SCHEMBL8841857 0.95 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8841833 0.94 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8841345 0.94 AGTR1 (0.35) AGTR1AGTR2PTGDR2
SCHEMBL8841651 0.93 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8841428 0.92 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8841616 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8841916 0.91 AGTR1 (0.37) AGTR1AGTR2PTGDR2
SCHEMBL9528009 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8842264 0.90 AGTR1 (0.40) 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