SCHEMBL7052409

SCHEMBL7052409

O=C(NCCCCN1CCC(Nc2ccccc2O)CC1)c1cncc(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF13 Q86YI8 1/20 0.66
L3MBTL3 Q96JM7 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
DRD3 P35462 6/20 0.56
HRH4 Q9H3N8 1/20 0.56
DRD2 P14416 3/20 0.53
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CACNA1I Q9P0X4 1/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR3 P51677 1/20 0.46
CCR2 P41597 1/20 0.45
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ADRA1A P35348 1/20 0.44

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
SCHEMBL7056252 0.88 DRD2 (0.70) PHF13L3MBTL3L3MBTL1DRD3HRH4
Hydrochloric Acid SCHEMBL7058792 0.87 DRD2 (0.69) PHF13L3MBTL3L3MBTL1DRD3HRH4
SCHEMBL7055489 0.85 PHF13 (0.58) PHF13L3MBTL3L3MBTL1DRD3HRH4
SCHEMBL23682845 0.80 PHF13 (1.00) PHF13L3MBTL3L3MBTL1DRD3HRH4
SCHEMBL7056847 0.72 DRD2 (0.49) DRD3DRD2SMN1; SMN2CCR3CCR2
SCHEMBL5606683 0.70 KMT2A (0.74) MEN1KMT2A
SCHEMBL19688299 0.70 POLB (0.72) PHF13L3MBTL3L3MBTL1POLBSMN1; SMN2
SCHEMBL12592289 0.70 PHF13 (0.80) PHF13L3MBTL3L3MBTL1DRD3HRH4
SCHEMBL22753440 0.69 L3MBTL1 (0.67) PHF13L3MBTL3L3MBTL1POLBSMN1; SMN2
SCHEMBL16023713 0.68 HDAC4 (0.73)

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