SCHEMBL9199860

SCHEMBL9199860

C=CCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)ccc1OCc1ccccc1C(=O)O

nearest known ligand 0.70

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
SCHEMBL9201119 0.91 EDNRB (0.59) EDNRBEDNRA
SCHEMBL9199868 0.89 EDNRB (0.53) EDNRBEDNRA
SCHEMBL9203244 0.88 EDNRB (0.56) EDNRBEDNRA
SCHEMBL9199247 0.85
SCHEMBL9205512 0.84 EDNRB (0.64) EDNRBEDNRA
SCHEMBL9196620 0.83 EDNRB (0.62) EDNRBEDNRA
SCHEMBL9127684 0.82 EDNRB (0.81) EDNRBEDNRA
SCHEMBL9200292 0.82 MRGPRX4 (0.53)
SCHEMBL9202509 0.81
SCHEMBL9126878 0.81 EDNRB (0.70) EDNRBEDNRA

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