SCHEMBL9503827

SCHEMBL9503827

CCCc1cc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.49
AGTR2 P50052 4/20 0.49
PPARG P37231 2/20 0.45

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
SCHEMBL9702808 0.85 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8972057 0.83 AGTR1 (0.71) AGTR1AGTR2PPARG
SCHEMBL9260166 0.82 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9701125 0.81 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9702673 0.81 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9702879 0.81 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9701118 0.80 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8972048 0.80 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL8537705 0.80 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9262756 0.80 AGTR1 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497516-A1 Substituted pyrrolo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1992-08-05 EP claimed
US-5124335-A Hypotensive agents, antiglaucoma agents MERCK & CO., INC. (US) 1992-06-23 US claimed
JP-5001062-A None JP disclosed
JP-H051062-A SUBSTITUTED PYRROLO-CONDENSED 6 MEMBERED HETEROCYCLE AS ANGIOTENSIN II ANTAGONIST MERCK & CO INC 1993-01-08 JP disclosed
EP-0497516-A1 Substituted pyrrolo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1992-08-05 EP disclosed
US-5124335-A Hypotensive agents, antiglaucoma agents MERCK & CO., INC. (US) 1992-06-23 US disclosed