SCHEMBL7056586

SCHEMBL7056586

Cn1cnc(-c2ccc(C(=O)NCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.69
DRD3 P35462 14/20 0.69
ADRA1A P35348 3/20 0.66
HTR2A P28223 5/20 0.58
HTR1A P08908 3/20 0.58
HTR2C P28335 3/20 0.57
SLC6A4 P31645 2/20 0.53

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
SCHEMBL7051887 0.87 DRD2 (0.63) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL7052921 0.87 DRD2 (0.70) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL7057222 0.83 DRD2 (0.77) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL7056412 0.83 DRD2 (0.73) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL7056355 0.83 DRD2 (0.73) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL7056313 0.81 DRD3 (0.73) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL7058045 0.81 DRD2 (0.75) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL7053778 0.76 DRD2 (0.76) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL7056826 0.75 DRD3 (0.64) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL8147822 0.75 DRD2 (0.77) DRD2DRD3ADRA1AHTR2AHTR1A

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-2003028728-A1 4-(4-SUBSTITUTED PIPERAZINYL-1YL)-BUTYLCARBOXAMIDES AS D3 DOPAMINE SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO disclosed