SCHEMBL4021552

SCHEMBL4021552

CNCCCCN1C[C@H](C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)[C@@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.36
DRD2 P14416 5/20 0.36
HTR1A P08908 4/20 0.36
DRD1 P21728 4/20 0.36
DRD4 P21917 4/20 0.36
DRD5 P21918 4/20 0.36
ADRA1A P35348 2/20 0.34
KDM2B Q8NHM5 2/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CCR3 P51677 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32

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
SCHEMBL4024736 0.98 DRD3 (0.34) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4029451 0.94 CARM1 (0.37) KDM2BMEN1KMT2A
SCHEMBL4748997 0.89 MEN1 (0.34) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4749199 0.89 MEN1 (0.34) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4028191 0.89 KIF11 (0.35) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4029040 0.89 DRD3 (0.35) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4749471 0.88 DRD3 (0.34) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4751833 0.88 DRD3 (0.34) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4749510 0.88 DRD3 (0.34) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4751841 0.88 DRD3 (0.34) DRD3DRD2HTR1ADRD1DRD4

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