SCHEMBL4024736

SCHEMBL4024736

CNCCCN1C[C@H](C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)[C@@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.34
DRD2 P14416 7/20 0.34
HTR1A P08908 7/20 0.34
DRD1 P21728 7/20 0.34
DRD4 P21917 7/20 0.34
DRD5 P21918 7/20 0.34
CCR3 P51677 2/20 0.34
KDM2B Q8NHM5 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA1A P35348 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL4021552 0.98 DRD3 (0.36) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4029451 0.94 CARM1 (0.37) KDM2BMEN1KMT2ACARM1PRMT6
SCHEMBL4749199 0.89 MEN1 (0.34) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4748997 0.89 MEN1 (0.34) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4028191 0.89 KIF11 (0.35) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4029040 0.89 DRD3 (0.35) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL4023810 0.87 KDM2B (0.31) KDM2B
SCHEMBL4024540 0.87 MEN1 (0.35) KDM2BMEN1KMT2AALDH1A1
SCHEMBL13720775 0.87 MEN1 (0.35) KDM2BMEN1KMT2AALDH1A1
SCHEMBL4024525 0.87 MEN1 (0.35) KDM2BMEN1KMT2AALDH1A1

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