SCHEMBL8555129

SCHEMBL8555129

CCOC(=O)c1cc2cc(N(C=O)c3ccccc3)ccc2n1Cc1cc2c(cc1Cl)OCO2.CCc1c(C(=O)O)n(Cc2cc3c(cc2Cl)OCO3)c2ccc(OCc3ccc(OC)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.49
EDNRB P24530 18/20 0.49

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
SCHEMBL7463568 0.84 NOD2 (0.43)
SCHEMBL7468828 0.82 EDNRB (0.47) EDNRAEDNRB
SCHEMBL8385275 0.80 F10 (0.51) EDNRAEDNRB
SCHEMBL7455739 0.76 CCR2 (0.57) EDNRAEDNRB
SCHEMBL7464523 0.76 CCR2 (0.48)
SCHEMBL8856638 0.75 EDNRA (0.78) EDNRAEDNRB
SCHEMBL7490221 0.75 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8387936 0.74 MAPT (0.47) EDNRAEDNRB
SCHEMBL7461983 0.74 MAOB (0.46) EDNRAEDNRB
SCHEMBL8543272 0.73 EDNRB (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955492-A Carboxylic acid indole inhibitors of chemokines SMITHKLINE BEECHAM CORPORATION (US) 1999-09-21 US disclosed