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SCHEMBL9059082

SCHEMBL9059082

CCCCc1nc2ccc(N(Cc3ccccc3)C(=O)N(C)CC)cc2c(=O)n1Cc1ccc(OCc2ccccc2C(=O)O)c(CCC)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 3/20 0.43
▸ AGTR1 P30556 1/20 0.41

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
SCHEMBL9593343 0.85 EDNRB (0.49) AGTR2AGTR1
SCHEMBL9057014 0.84 AGTR1 (0.48) AGTR2AGTR1
SCHEMBL9591421 0.82 AGTR2 (0.43) AGTR2AGTR1
SCHEMBL9044061 0.80 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL9043443 0.78 AGTR1 (0.53) AGTR2AGTR1
SCHEMBL9043272 0.77 AGTR1 (0.46) AGTR2AGTR1
SCHEMBL9591656 0.77 EDNRB (0.51) AGTR2AGTR1
SCHEMBL9593058 0.77 AGTR2 (0.46) AGTR2
SCHEMBL9040731 0.77 AGTR1 (0.46) AGTR2AGTR1
SCHEMBL9043074 0.76 PTGES (0.46) —

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