SCHEMBL9201130

SCHEMBL9201130

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(OCc2ccc(C(=O)O)cc2)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.56
EDNRA P25101 1/20 0.56

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
SCHEMBL9203251 0.93
SCHEMBL9199255 0.89
SCHEMBL9199868 0.89 EDNRB (0.53) EDNRBEDNRA
SCHEMBL4328034 0.88
SCHEMBL9202514 0.86
SCHEMBL9201119 0.85 EDNRB (0.59) EDNRBEDNRA
SCHEMBL9200299 0.84 EDNRB (0.52) EDNRBEDNRA
SCHEMBL9202839 0.83
SCHEMBL9205517 0.83 EDNRB (0.64) EDNRBEDNRA
SCHEMBL5420463 0.82

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