SCHEMBL7057584

SCHEMBL7057584

O=C(NCCCCN1CCC(Nc2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.69
DRD2 P14416 13/20 0.69
ADRA1A P35348 9/20 0.69
DRD4 P21917 5/20 0.60
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
HRH4 Q9H3N8 1/20 0.53

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
SCHEMBL7119593 0.90 CCR3 (0.55) DRD3DRD2ADRA1A
SCHEMBL7060979 0.88 DRD2 (0.52) DRD3DRD2ADRA1ADRD4
SCHEMBL7054406 0.88 DRD3 (0.57) DRD3DRD2ADRA1ADRD4
Hydrochloric Acid SCHEMBL7058141 0.87 DRD2 (0.53) DRD3DRD2ADRA1ADRD4
SCHEMBL7055659 0.86 DRD2 (0.50) DRD3DRD2ADRA1A
Hydrochloric Acid SCHEMBL7056135 0.85 DRD4 (0.59) DRD3DRD2ADRA1ADRD4SLC6A4
SCHEMBL7057796 0.84 DRD3 (0.71) DRD3DRD2ADRA1ADRD4SLC6A2
SCHEMBL7052435 0.83 DRD2 (0.48) DRD3DRD2ADRA1ADRD4
SCHEMBL7052427 0.83 DRD2 (0.48) DRD3DRD2ADRA1A
SCHEMBL7058078 0.81 DRD2 (0.56) DRD3DRD2ADRA1ADRD4

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-2003028725-A1 4-(1-PIPERIDINY)-BUTYLCARBOXAMIDE AS D3 DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO disclosed