SCHEMBL7115347

SCHEMBL7115347

O=C(NCCCCN1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2cn3ccsc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.49
DRD2 P14416 9/20 0.49
ADRA1A P35348 1/20 0.46
CHRM4 P08173 2/20 0.43
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
TP53 P04637 1/20 0.41
SLC5A7 Q9GZV3 1/20 0.41
HTR1A P08908 3/20 0.40
DRD4 P21917 3/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 2/20 0.40

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
SCHEMBL7053088 0.86 DRD3 (0.49) DRD3DRD2ADRA1ACHRM4TP53
Hydrochloric Acid SCHEMBL7059854 0.86 CCR3 (0.51) DRD3DRD2ADRA1ACHRM4DRD4
SCHEMBL7050625 0.81 DRD2 (0.54) DRD3DRD2ADRA1ALMNAOPRM1
SCHEMBL7056847 0.78 DRD2 (0.49) DRD3DRD2ADRA1ATP53HTR1A
SCHEMBL7119545 0.77 DRD3 (0.64) DRD3DRD2ADRA1AHTR1ADRD4
SCHEMBL7055320 0.77 DRD3 (0.57) DRD3DRD2ADRA1ASLC5A7HTR1A
SCHEMBL7118079 0.76 DRD2 (0.46) DRD3DRD2TP53HTR1ADRD4
SCHEMBL7051851 0.76 DRD3 (0.49) DRD3DRD2TP53DRD4HTR2A
SCHEMBL7056494 0.75 DRD2 (0.60) DRD3DRD2ADRA1ATP53HTR1A
SCHEMBL7058078 0.75 DRD2 (0.56) DRD3DRD2ADRA1ACHRM4LMNA

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