SCHEMBL4752848

SCHEMBL4752848

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCN(C)CC2)C[C@H]1C(=O)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HTR1F P30939 4/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MGLL Q99685 2/20 0.34
HTR1A P08908 1/20 0.33
ESRRG P62508 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 0.94 GRIN1 (0.38) GRIN1GRIN2BKMT2AMEN1HTR1F
SCHEMBL4749392 0.90 MGLL (0.36) GRIN1GRIN2BKMT2AMEN1HTR1F
SCHEMBL4752869 0.86 MEN1 (0.40) KMT2AMEN1MGLL
SCHEMBL4751351 0.86 MEN1 (0.40) KMT2AMEN1MGLL
SCHEMBL4752891 0.85 ABL1 (0.37) GRIN1GRIN2BKMT2AMEN1MGLL
SCHEMBL4021646 0.84 MC4R (0.36) GRIN1GRIN2BKMT2AMEN1MGLL
SCHEMBL4028155 0.84 KMT2A (0.34) KDM4EKMT2AMEN1TAS1R3TAS1R1
SCHEMBL4022170 0.84 NPSR1 (0.42) KDM4EGRIN1GRIN2BKMT2AMEN1
SCHEMBL4025296 0.83 MGLL (0.35) GRIN1GRIN2BKMT2AMEN1MGLL
SCHEMBL4022812 0.83 HTR6 (0.35) 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