SCHEMBL9657133

SCHEMBL9657133

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccncc2-c2nnn[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.59
AGTR1 P30556 3/20 0.59
GPR4 P46093 1/20 0.49

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
SCHEMBL9655735 0.96 AGTR2 (0.57) AGTR2AGTR1
L-158809 SCHEMBL683357 0.89 AGTR2 (0.71) AGTR2AGTR1GPR4
SCHEMBL9655783 0.89 AGTR2 (0.52) AGTR2AGTR1
SCHEMBL9657763 0.88 AGTR2 (0.47) AGTR2AGTR1
L-158809 SCHEMBL7944169 0.88 AGTR2 (0.70) AGTR2AGTR1GPR4
SCHEMBL9658510 0.87 AGTR2 (0.43) AGTR2AGTR1
SCHEMBL9658890 0.86 AGTR2 (0.45) AGTR2AGTR1
SCHEMBL9657724 0.86 AGTR2 (0.45) AGTR2AGTR1
SCHEMBL9658834 0.86 AGTR2 (0.53) AGTR2AGTR1GPR4
SCHEMBL9657709 0.86 AGTR2 (0.56) 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-0510813-A1 Angiotensin II antagonists incorporating a nitrogen containing six membered ring heterocycle MERCK & CO. INC. (US) 1992-10-28 EP claimed
EP-0510813-A1 Angiotensin II antagonists incorporating a nitrogen containing six membered ring heterocycle MERCK & CO. INC. (US) 1992-10-28 EP disclosed
US-5128327-A Hypotensive agents; congestive heart failure; antidepressants; anxiolytic agents; cognition activators MERCK & CO., INC. (US) 1992-07-07 US disclosed