SCHEMBL4022878

SCHEMBL4022878

CNCCN1C[C@H](C(=O)c2cccc(OC)c2)C(c2cccc(Cl)c2Cl)[C@@H](C(=O)c2cccc(OC)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.49
DRD2 P14416 7/20 0.49
KDM2B Q8NHM5 3/20 0.46
CCR3 P51677 1/20 0.45
DRD3 P35462 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
PMP22 Q01453 1/20 0.42
HTT P42858 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL4026388 0.91 DRD4 (0.45) DRD4DRD2KDM2BCCR3KMT2A
SCHEMBL4022127 0.80 KDM2B (0.39) DRD4DRD2KDM2BCCR3KMT2A
SCHEMBL13721312 0.80 KDM2B (0.39) DRD4DRD2KDM2BCCR3KMT2A
SCHEMBL4023629 0.80 KDM2B (0.39) DRD4DRD2KDM2BCCR3KMT2A
SCHEMBL4023627 0.80 KDM2B (0.39) DRD4DRD2KDM2BCCR3KMT2A
SCHEMBL4751954 0.79 DRD4 (0.44) DRD4DRD2KDM2BCCR3DRD3
SCHEMBL4025349 0.78 DRD4 (0.43) DRD4DRD2KDM2BCCR3DRD3
SCHEMBL4024586 0.77 DRD4 (0.38) DRD4DRD2KDM2BDRD3KMT2A
SCHEMBL4019064 0.76 HTT (0.36) DRD4DRD2KDM2BCCR3KMT2A
SCHEMBL4776307 0.75 KDM2B (0.37) DRD4DRD2KDM2BCCR3KMT2A

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