SCHEMBL4749342

SCHEMBL4749342

COCCN1C[C@H](C(=O)c2cccc(OC)c2)[C@@H](c2cccc(F)c2C)[C@H](C(=O)c2cccc(OC)c2F)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
DRD4 P21917 6/20 0.38
MCHR1 Q99705 2/20 0.38
DRD2 P14416 5/20 0.37
DRD3 P35462 1/20 0.37
MC4R P32245 1/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4020026 0.94 KDM2B (0.42) KDM2BALDH1A1MCHR1DRD2DRD3
SCHEMBL4026436 0.92 KDM2B (0.42) KDM2BALDH1A1LMNAMCHR1DRD2
SCHEMBL4024586 0.91 DRD4 (0.38) KDM2BALDH1A1LMNADRD4MCHR1
SCHEMBL4021139 0.88 KDM2B (0.43) KDM2BMCHR1DRD2DRD3MC4R
SCHEMBL4022270 0.84 KDM2B (0.39) KDM2BALDH1A1DRD4DRD2KMT2A
SCHEMBL4024597 0.84 KDM2B (0.45) KDM2BALDH1A1LMNADRD2DRD3
SCHEMBL4021398 0.84 KDM2B (0.45) KDM2BALDH1A1LMNADRD2DRD3
SCHEMBL4749206 0.83 KDM2B (0.42) KDM2BALDH1A1LMNADRD2DRD3
SCHEMBL4029178 0.82 KDM2B (0.43) KDM2BDRD4DRD2KMT2ANPSR1
SCHEMBL4022832 0.82 KDM2B (0.43) KDM2BDRD4DRD2KMT2ANPSR1

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