SCHEMBL7056252

SCHEMBL7056252

COc1ccccc1NC1CCN(CCCCNC(=O)c2cncc(Br)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.70
DRD3 P35462 7/20 0.70
PHF13 Q86YI8 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HRH4 Q9H3N8 1/20 0.53
DRD4 P21917 4/20 0.52
SMYD2 Q9NRG4 1/20 0.48
HTR1A P08908 2/20 0.48
ADRA2A P08913 2/20 0.48
CACNA1I Q9P0X4 1/20 0.47

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
Hydrochloric Acid SCHEMBL7058792 0.99 DRD2 (0.69) DRD2DRD3PHF13L3MBTL3L3MBTL1
SCHEMBL7055489 0.90 PHF13 (0.58) DRD2DRD3PHF13L3MBTL3L3MBTL1
SCHEMBL7052409 0.88 PHF13 (0.66) DRD2DRD3PHF13L3MBTL3L3MBTL1
SCHEMBL23682845 0.77 PHF13 (1.00) DRD3PHF13L3MBTL3L3MBTL1HRH4
SCHEMBL7119545 0.74 DRD3 (0.64) DRD2DRD3DRD4HTR1A
SCHEMBL7055272 0.72 CCR3 (0.68) DRD2DRD3DRD4HTR1A
SCHEMBL7057804 0.71 DRD3 (0.63) DRD2DRD3DRD4HTR1A
SCHEMBL7056570 0.70 DRD2 (1.00) DRD2DRD3HTR1A
SCHEMBL22753440 0.69 L3MBTL1 (0.67) PHF13L3MBTL3L3MBTL1
SCHEMBL9650872 0.69 DRD2 (0.80) DRD2DRD3DRD4HTR1A

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