SCHEMBL9044889

SCHEMBL9044889

CCCCc1nc(-c2ccccc2)cc(=O)n1Cc1ccc(OCc2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL9043901 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9044905 0.90 GSK3B (0.46) GSK3BAGTR1AGTR2
SCHEMBL9844361 0.87 AGTR1 (0.49) GSK3BAGTR1AGTR2
SCHEMBL9043905 0.84 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9042890 0.83 PPARG (0.42) AGTR1
SCHEMBL9040120 0.83 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9283006 0.82
SCHEMBL9530765 0.82 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9043234 0.81 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8095027 0.81 AGTR2 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed