SCHEMBL10698746

SCHEMBL10698746

COC(=O)CC(C)C(SCCC(=O)NC(C)(C)C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.45
▸ CYSLTR1 Q9Y271 1/20 0.45

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
SCHEMBL10698190 0.93 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL10696720 0.88 — —
SCHEMBL9265161 0.84 CYSLTR2 (0.51) CYSLTR2CYSLTR1
SCHEMBL9202938 0.83 CYSLTR1 (0.51) CYSLTR2CYSLTR1
SCHEMBL9210664 0.82 CYSLTR1 (0.49) CYSLTR2CYSLTR1
SCHEMBL10697037 0.82 — —
SCHEMBL9597309 0.82 CYSLTR1 (0.48) CYSLTR2CYSLTR1
SCHEMBL9597297 0.82 CYSLTR1 (0.48) CYSLTR2CYSLTR1
SCHEMBL9265513 0.81 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL9597300 0.81 — —

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
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 — — EP disclosed
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