SCHEMBL4749151

SCHEMBL4749151

CCCNCCCCN1CC(C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)C(C(=O)[C@@H]2CN(CCCCNCCC)C[C@H](C(=O)c3cccc(O)c3)[C@@H]2c2cccc(F)c2C)C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.33
DRD4 P21917 9/20 0.33
DRD2 P14416 9/20 0.33
HTR1A P08908 8/20 0.33
DRD1 P21728 8/20 0.33
DRD5 P21918 8/20 0.33
OPRM1 P35372 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
MC1R Q01726 1/20 0.32
ADRA1A P35348 1/20 0.32
MGLL Q99685 1/20 0.31
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL4749501 1.00 DRD3 (0.33) DRD3DRD4DRD2HTR1ADRD1
SCHEMBL4751833 0.94 DRD3 (0.34) DRD3DRD4DRD2HTR1ADRD1
SCHEMBL4751841 0.94 DRD3 (0.34) DRD3DRD4DRD2HTR1ADRD1
SCHEMBL4752868 0.93 DRD2 (0.33) DRD3DRD4DRD2HTR1ADRD1
SCHEMBL4749174 0.93 DRD2 (0.33) DRD3DRD4DRD2HTR1ADRD1
SCHEMBL4749510 0.89 DRD3 (0.34) DRD3DRD4DRD2HTR1ADRD1
SCHEMBL4749471 0.89 DRD3 (0.34) DRD3DRD4DRD2HTR1ADRD1
SCHEMBL4749235 0.88 DRD3 (0.35) DRD3DRD4DRD2HTR1ADRD1
SCHEMBL4751696 0.88 ADRB2 (0.34) DRD3DRD4DRD2HTR1ADRD1
SCHEMBL4751690 0.88 ADRB2 (0.34) DRD3DRD4DRD2HTR1ADRD1

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