SCHEMBL4749174

SCHEMBL4749174

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCCCNCCO)CC1C(=O)[C@@H]1CN(CCCCNCCO)C[C@H](C(=O)c2cccc(O)c2)[C@@H]1c1cccc(F)c1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.33
DRD3 P35462 4/20 0.33
DRD4 P21917 2/20 0.33
OPRM1 P35372 1/20 0.33
HTR1A P08908 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 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
ESRRG P62508 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
SCHEMBL4752868 0.97 DRD2 (0.33) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL4749151 0.93 DRD3 (0.33) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL4749501 0.93 DRD3 (0.33) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL4751841 0.92 DRD3 (0.34) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL4751833 0.92 DRD3 (0.34) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL4751290 0.91 ESRRG (0.34) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4749510 0.89 DRD3 (0.34) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL4749471 0.89 DRD3 (0.34) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL4809533 0.89 DRD2 (0.32) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL4749235 0.88 DRD3 (0.35) DRD2DRD3DRD4HTR1ADRD1

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