SCHEMBL8856802

SCHEMBL8856802

O=C(O)c1c(-c2ccccc2)c2cc(Cc3ccccc3)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.61
EDNRB P24530 12/20 0.61
SERPINE1 P05121 2/20 0.46

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
SCHEMBL8543285 0.87 EDNRB (0.69) EDNRAEDNRB
SCHEMBL8540948 0.85 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8590639 0.83 EDNRA (0.64) EDNRAEDNRB
SCHEMBL8856815 0.83 EDNRB (0.74) EDNRAEDNRB
SCHEMBL8857065 0.83 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8856638 0.82 EDNRA (0.78) EDNRAEDNRB
SCHEMBL8540470 0.81 EDNRB (0.66) EDNRAEDNRB
SCHEMBL8543571 0.81 EDNRB (0.69) EDNRAEDNRB
SCHEMBL8545866 0.81 EDNRA (0.66) EDNRAEDNRB
SCHEMBL8856895 0.81 EDNRB (0.71) EDNRAEDNRB

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
US-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US claimed
US-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US disclosed