SCHEMBL9199158

SCHEMBL9199158

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(OCc2c(Cl)ccc(-c3nnn[nH]3)c2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.47
AGTR1 P30556 2/20 0.47
GPR4 P46093 2/20 0.43

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
SCHEMBL9199170 0.88 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL9205496 0.87 AGTR1 (0.51) AGTR2AGTR1GPR4
SCHEMBL9200041 0.85 AGTR1 (0.55) AGTR2AGTR1GPR4
SCHEMBL9200060 0.84 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL9202793 0.83 AGTR2 (0.51) AGTR2AGTR1GPR4
SCHEMBL9205503 0.83 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL9202804 0.81 AGTR2 (0.51) AGTR2AGTR1
SCHEMBL21083598 0.81 AGTR2 (0.55) AGTR2AGTR1
SCHEMBL9204771 0.81 AGTR1 (0.49) AGTR2AGTR1GPR4
SCHEMBL9204789 0.79 AGTR2 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed