SCHEMBL4749392

SCHEMBL4749392

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCN(C)C2)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
OPRM1 P35372 1/20 0.35
HTR1F P30939 1/20 0.34
KDM2B Q8NHM5 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL4018836 0.95 GRIN1 (0.38) MGLLKMT2AMEN1HTR1FKDM2B
SCHEMBL4752869 0.92 MEN1 (0.40) MGLLKMT2AMEN1OPRM1
SCHEMBL4751351 0.92 MEN1 (0.40) MGLLKMT2AMEN1OPRM1
SCHEMBL4752848 0.90 KDM4E (0.37) MGLLKMT2AMEN1HTR1FGRIN1
SCHEMBL4022671 0.89 NPSR1 (0.39) MGLLKMT2AMEN1KDM2B
SCHEMBL4021759 0.89 MGLL (0.39) MGLLOPRM1GRIN1GRIN2B
SCHEMBL4021748 0.89 MGLL (0.39) MGLLOPRM1GRIN1GRIN2B
SCHEMBL4023652 0.88 MGLL (0.39) MGLLGRIN1GRIN2B
SCHEMBL4023633 0.88 MGLL (0.39) MGLLGRIN1GRIN2B
SCHEMBL4752891 0.87 ABL1 (0.37) MGLLKMT2AMEN1OPRM1KDM2B

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