SCHEMBL4776307

SCHEMBL4776307

CNCCN1C[C@H](C(=O)c2cccc(OC)c2)[C@H](c2cccc(F)c2C)[C@@H](c2ccc[c]c2F)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 5/20 0.37
MCHR1 Q99705 2/20 0.36
DRD4 P21917 7/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR3 P51677 2/20 0.35
DRD2 P14416 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4025759 0.92 KDM2B (0.35) KDM2BMCHR1DRD4HTTKMT2A
SCHEMBL4029300 0.87 MCHR1 (0.36) KDM2BMCHR1DRD4HTTKMT2A
SCHEMBL4019064 0.86 HTT (0.36) KDM2BMCHR1DRD4HTTKMT2A
SCHEMBL4023590 0.86 DRD4 (0.39) MCHR1DRD4HTTKMT2ACCR3
SCHEMBL4022127 0.85 KDM2B (0.39) KDM2BMCHR1DRD4HTTKMT2A
SCHEMBL4023627 0.85 KDM2B (0.39) KDM2BMCHR1DRD4HTTKMT2A
SCHEMBL13721312 0.85 KDM2B (0.39) KDM2BMCHR1DRD4HTTKMT2A
SCHEMBL4023629 0.85 KDM2B (0.39) KDM2BMCHR1DRD4HTTKMT2A
SCHEMBL4751954 0.84 DRD4 (0.44) KDM2BDRD4HTTKMT2ACCR3
SCHEMBL4025349 0.84 DRD4 (0.43) KDM2BDRD4HTTKMT2ACCR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed