SCHEMBL4809533

SCHEMBL4809533

Cc1c(F)cccc1[C@@H]1[C@H](C=O)CN(CCCCNCCCO)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
DRD4 P21917 2/20 0.32
HTR1A P08908 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
OPRM1 P35372 1/20 0.32
ESRRG P62508 1/20 0.30
ADRA1A P35348 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 0.92 DRD2 (0.33) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4749174 0.89 DRD2 (0.33) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4749151 0.85 DRD3 (0.33) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4749501 0.85 DRD3 (0.33) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4021552 0.85 DRD3 (0.36) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4751290 0.85 ESRRG (0.34) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4751841 0.84 DRD3 (0.34) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4751833 0.84 DRD3 (0.34) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4020633 0.84 MEN1 (0.35) OPRM1ESRRG
SCHEMBL4024736 0.83 DRD3 (0.34) 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 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