SCHEMBL4751696

SCHEMBL4751696

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCCCNC(C)(C)C)CC1C(=O)C1CN(CCCCNC(C)(C)C)CC(C(=O)c2cccc(O)c2)C1c1cccc(F)c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
HTR1A P08908 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
TP53BP1 Q12888 4/20 0.33
ADRA1A P35348 2/20 0.32
KDM2B Q8NHM5 2/20 0.30
NAMPT P43490 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4751690 1.00 ADRB2 (0.34) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL4751841 0.91 DRD3 (0.34) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL4751833 0.91 DRD3 (0.34) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL4749510 0.89 DRD3 (0.34) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL4749471 0.89 DRD3 (0.34) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL4752868 0.88 DRD2 (0.33) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL4749501 0.88 DRD3 (0.33) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL4749151 0.88 DRD3 (0.33) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL4749235 0.88 DRD3 (0.35) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL4749174 0.88 DRD2 (0.33) DRD2DRD3HTR1ADRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed