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Sugi Predict / Compounds / SCHEMBL4749185

SCHEMBL4749185

SCHEMBL4749185

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C[C@H](CO)NC(C)C)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 2/20 0.31
▸ MGLL Q99685 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 1/20 0.30

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
SCHEMBL4020293 0.89 GNRHR (0.37) KDM2BMGLL
SCHEMBL4749198 0.88 MEN1 (0.33) KDM2BMGLL
SCHEMBL4018647 0.86 KDM2B (0.33) KDM2BMGLL
SCHEMBL4023878 0.86 KDM2B (0.34) KDM2BMGLL
SCHEMBL4022530 0.86 KDM2B (0.34) KDM2BMGLL
SCHEMBL13721304 0.86 KDM2B (0.34) KDM2BMGLL
SCHEMBL4020419 0.86 KDM2B (0.32) KDM2BMGLLOPRM1OPRD1OPRK1
SCHEMBL4020603 0.85 KDM2B (0.33) KDM2BMGLLOPRM1OPRK1
SCHEMBL4025503 0.85 KIF11 (0.34) KDM2BMGLLOPRM1OPRD1OPRK1
SCHEMBL4022478 0.82 KDM2B (0.31) KDM2BMGLL

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 — — WO disclosed