SCHEMBL7055489

SCHEMBL7055489

CS(=O)(=O)Oc1ccccc1NC1CCN(CCCCNC(=O)c2cncc(Br)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHF13 Q86YI8 1/20 0.58
L3MBTL3 Q96JM7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
DRD3 P35462 9/20 0.57
DRD2 P14416 8/20 0.57
HRH4 Q9H3N8 1/20 0.50
SMYD2 Q9NRG4 1/20 0.46
CACNA1I Q9P0X4 1/20 0.45
POLB P06746 1/20 0.44
DRD4 P21917 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42

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 0.90 DRD2 (0.70) PHF13L3MBTL3L3MBTL1DRD3DRD2
Hydrochloric Acid SCHEMBL7058792 0.90 DRD2 (0.69) PHF13L3MBTL3L3MBTL1DRD3DRD2
SCHEMBL7052409 0.85 PHF13 (0.66) PHF13L3MBTL3L3MBTL1DRD3DRD2
SCHEMBL7058610 0.76 DRD3 (0.53) DRD3DRD2DRD4SMN1; SMN2CYP1A2
SCHEMBL23682845 0.75 PHF13 (1.00) PHF13L3MBTL3L3MBTL1DRD3HRH4
SCHEMBL22753440 0.67 L3MBTL1 (0.67) PHF13L3MBTL3L3MBTL1POLBLMNA
SCHEMBL7055272 0.66 CCR3 (0.68) DRD3DRD2POLBDRD4
SCHEMBL5606683 0.66 KMT2A (0.74) DRD4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7119545 0.66 DRD3 (0.64) DRD3DRD2DRD4SMN1; SMN2CYP1A2
SCHEMBL19688299 0.66 POLB (0.72) PHF13L3MBTL3L3MBTL1POLBLMNA

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