SCHEMBL4018836

SCHEMBL4018836

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCN(C)CC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MGLL Q99685 6/20 0.37
HTR1F P30939 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM2B Q8NHM5 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4749392 0.95 MGLL (0.36) GRIN1GRIN2BMGLLHTR1FKMT2A
SCHEMBL4752848 0.94 KDM4E (0.37) GRIN1GRIN2BMGLLHTR1FKMT2A
SCHEMBL4752869 0.91 MEN1 (0.40) MGLLKMT2AMEN1MAPK1
SCHEMBL4751351 0.91 MEN1 (0.40) MGLLKMT2AMEN1MAPK1
SCHEMBL4752891 0.90 ABL1 (0.37) GRIN1GRIN2BMGLLKMT2AMEN1
SCHEMBL4021646 0.89 MC4R (0.36) GRIN1GRIN2BMGLLKMT2AMEN1
SCHEMBL4022170 0.89 NPSR1 (0.42) GRIN1GRIN2BMGLLKMT2AMEN1
SCHEMBL4025296 0.88 MGLL (0.35) GRIN1GRIN2BMGLLKMT2AMEN1
SCHEMBL4022812 0.88 HTR6 (0.35) MGLLKDM2B
SCHEMBL4022671 0.88 NPSR1 (0.39) MGLLKMT2AMEN1KDM2B

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
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed