SCHEMBL4749472

SCHEMBL4749472

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C(=O)CCCC2CCN2)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.32
KDM2B Q8NHM5 2/20 0.32
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30
REN P00797 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
SCHEMBL4751720 0.89 ITGB3 (0.35) MGLLREN
SCHEMBL4749094 0.86 KDM2B (0.34) MGLLKDM2BCHRNB4CHRNA3
SCHEMBL4019114 0.86 SIGMAR1 (0.38) MGLLREN
SCHEMBL4019124 0.86 SIGMAR1 (0.38) MGLLREN
SCHEMBL4774948 0.84 KDM2B (0.35) MGLLKDM2BCHRNB4CHRNA3
SCHEMBL4751400 0.84 CFD (0.36) MGLLCHRNB4CHRNA3REN
SCHEMBL4023514 0.83 CFD (0.36) MGLLCHRNB4CHRNA3REN
SCHEMBL4022291 0.83 MGLL (0.34) MGLL
SCHEMBL4022289 0.83 MGLL (0.34) MGLL
SCHEMBL4020378 0.82 MGLL (0.34) MGLL

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