SCHEMBL9530541

SCHEMBL9530541

CC/C=C/c1nc(C(C)CC)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.34
AGTR1 P30556 6/20 0.34
GP6 Q9HCN6 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
SCHEMBL9530546 1.00 AGTR2 (0.34) AGTR2AGTR1GP6
SCHEMBL9528628 0.93 AGTR1 (0.35) AGTR2AGTR1
SCHEMBL9528619 0.93 AGTR1 (0.35) AGTR2AGTR1
SCHEMBL8105591 0.86 AGTR1 (0.36) AGTR2AGTR1
SCHEMBL8105593 0.86 AGTR1 (0.36) AGTR2AGTR1
SCHEMBL9528297 0.86 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9528305 0.86 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9528389 0.85 AGTR1 (0.36) AGTR2AGTR1
SCHEMBL9529708 0.85 AGTR1 (0.36) AGTR2AGTR1
SCHEMBL9529428 0.85 AGTR1 (0.40) AGTR2AGTR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed