SCHEMBL9307592

SCHEMBL9307592

C=CCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(Cl)c1OC(C(=O)O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.65
EDNRA P25101 1/20 0.65

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
SCHEMBL9308098 0.94 EDNRB (0.57) EDNRBEDNRA
SCHEMBL9124539 0.91
SCHEMBL9127684 0.88 EDNRB (0.81) EDNRBEDNRA
SCHEMBL9128821 0.87 EDNRB (0.65) EDNRBEDNRA
SCHEMBL9307168 0.85 EDNRB (0.68) EDNRBEDNRA
SCHEMBL9127065 0.85 EDNRB (0.81) EDNRBEDNRA
SCHEMBL9127878 0.85
SCHEMBL9127084 0.83 EDNRB (0.79) EDNRBEDNRA
SCHEMBL9126878 0.82 EDNRB (0.70) EDNRBEDNRA
SCHEMBL9087673 0.82 EDNRB (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 US disclosed