SCHEMBL4024586

SCHEMBL4024586

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.38
DRD2 P14416 6/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KDM2B Q8NHM5 3/20 0.37
MCHR1 Q99705 2/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD3 P35462 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4022127 0.92 KDM2B (0.39) DRD4DRD2KDM2BMCHR1CYP2C9
SCHEMBL4023627 0.92 KDM2B (0.39) DRD4DRD2KDM2BMCHR1CYP2C9
SCHEMBL4023629 0.92 KDM2B (0.39) DRD4DRD2KDM2BMCHR1CYP2C9
SCHEMBL13721312 0.92 KDM2B (0.39) DRD4DRD2KDM2BMCHR1CYP2C9
SCHEMBL4749342 0.91 KDM2B (0.40) DRD4DRD2ALDH1A1LMNAKDM2B
SCHEMBL4751954 0.87 DRD4 (0.44) DRD4DRD2KDM2BDRD3KMT2A
SCHEMBL4025349 0.86 DRD4 (0.43) DRD4DRD2KDM2BDRD3KMT2A
SCHEMBL4020026 0.85 KDM2B (0.42) DRD2ALDH1A1KDM2BMCHR1CYP2C9
SCHEMBL4019477 0.84 DRD4 (0.41) DRD4DRD2KDM2BMCHR1CYP2C9
SCHEMBL4021684 0.83 KDM2B (0.38) DRD4DRD2KDM2BMCHR1CYP2C9

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