SCHEMBL7055010

SCHEMBL7055010

Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(-c4cn5ccsc5n4)cc3)CC2)c1C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.61
DRD3 P35462 10/20 0.61
ADRA1A P35348 2/20 0.61
DRD4 P21917 5/20 0.55
HTR2A P28223 10/20 0.53
HTR2C P28335 10/20 0.53
HTR1A P08908 5/20 0.53
HTR2B P41595 2/20 0.53
SLC6A4 P31645 5/20 0.51

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
SCHEMBL7057784 0.88 DRD2 (0.48) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL7053773 0.87 DRD3 (0.68) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL7056494 0.87 DRD2 (0.60) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL7049915 0.86 DRD2 (0.51) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL7055031 0.82 DRD2 (0.64) DRD2DRD3ADRA1ADRD4
SCHEMBL7056485 0.82 DRD2 (0.64) DRD2DRD3DRD4HTR2AHTR2C
SCHEMBL7057771 0.81 DRD2 (0.58) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL7050986 0.81 DRD3 (0.56) DRD2DRD3DRD4HTR2AHTR2C
SCHEMBL7054522 0.80 DRD2 (0.53) DRD2DRD3ADRA1ADRD4SLC6A4
SCHEMBL7052599 0.80 DRD2 (0.51) DRD2DRD3DRD4HTR2AHTR2C

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