SCHEMBL27600129

SCHEMBL27600129

CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCC(=O)O)c(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.40
EDNRA P25101 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
SCHEMBL27579868 0.87 EDNRB (0.36) EDNRBEDNRA
SCHEMBL27582741 0.85 EDNRB (0.41) EDNRBEDNRA
SCHEMBL27618371 0.81
SCHEMBL1625991 0.78 GPR4 (0.38)
SCHEMBL27600074 0.78
SCHEMBL5999775 0.74
SCHEMBL1626694 0.74 TAAR1 (0.42)
SCHEMBL6896464 0.74 GPR4 (0.38)
SCHEMBL27597652 0.73 AGTR1 (0.39)
SCHEMBL1626293 0.72 PTGER4 (0.50)

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
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed