SCHEMBL4749161

SCHEMBL4749161

COCCN1C[C@H](C(=O)c2cccc(OC)c2)[C@H](c2cccc(F)c2C)[C@@H](c2cc[c]c(F)c2OC)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 5/20 0.38
MC4R P32245 1/20 0.36
MCHR1 Q99705 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CCR3 P51677 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NTRK1 P04629 1/20 0.33
KCNH2 Q12809 1/20 0.33
OPRM1 P35372 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4025759 0.91 KDM2B (0.35) KDM2BMCHR1NPSR1KMT2AHTT
SCHEMBL4021139 0.83 KDM2B (0.43) KDM2BMC4RMCHR1NPSR1KMT2A
SCHEMBL4776307 0.82 KDM2B (0.37) KDM2BMCHR1KMT2AHTTDRD2
SCHEMBL4026436 0.82 KDM2B (0.42) KDM2BMC4RMCHR1NPSR1KMT2A
SCHEMBL4020026 0.82 KDM2B (0.42) KDM2BMC4RMCHR1NPSR1KMT2A
SCHEMBL4029300 0.80 MCHR1 (0.36) KDM2BMCHR1NPSR1KMT2AHTT
SCHEMBL4749342 0.80 KDM2B (0.40) KDM2BMC4RMCHR1NPSR1KMT2A
SCHEMBL4024597 0.79 KDM2B (0.45) KDM2BNPSR1KMT2AHTTDRD2
SCHEMBL4021398 0.79 KDM2B (0.45) KDM2BNPSR1KMT2AHTTDRD2
SCHEMBL4749206 0.79 KDM2B (0.42) KDM2BMC4RKMT2ADRD2DRD3

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 claimed