SCHEMBL7056847

SCHEMBL7056847

O=C(NCCCCN1CCC(Nc2ccccc2O)CC1)c1ccc(-c2cn3ccsc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
DRD3 P35462 6/20 0.49
CCR2 P41597 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
TP53 P04637 4/20 0.42
CCR3 P51677 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR1A P08908 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
TMEM97 Q5BJF2 3/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL7119545 0.89 DRD3 (0.64) DRD2DRD3SLC6A2SLC6A4SMN1; SMN2
SCHEMBL7058610 0.87 DRD3 (0.53) DRD2DRD3SMN1; SMN2HTR1ADRD4
SCHEMBL7118079 0.85 DRD2 (0.46) DRD2DRD3CCR2TP53NPC1
SCHEMBL7053088 0.83 DRD3 (0.49) DRD2DRD3TP53CCR3NPC1
SCHEMBL7051851 0.82 DRD3 (0.49) DRD2DRD3TP53CCR3NPC1
SCHEMBL7056494 0.78 DRD2 (0.60) DRD2DRD3TP53SMN1; SMN2HTR1A
SCHEMBL7115347 0.78 DRD3 (0.49) DRD2DRD3TP53HTR1ADRD4
SCHEMBL7055031 0.77 DRD2 (0.64) DRD2DRD3DRD4ADRA1A
Hydrochloric Acid SCHEMBL7059854 0.76 CCR3 (0.51) DRD2DRD3SLC6A2SLC6A4CCR3
SCHEMBL7053773 0.76 DRD3 (0.68) DRD2DRD3SLC6A2SLC6A4HTR1A

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