SCHEMBL7055272

SCHEMBL7055272

COc1cccc(NC2CCN(CCCCNC(=O)c3ccccc3)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.68
DRD4 P21917 11/20 0.62
DRD2 P14416 10/20 0.62
DRD3 P35462 3/20 0.62
HTR2A P28223 2/20 0.57
POLB P06746 1/20 0.55
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR1A P08908 1/20 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
SCHEMBL7119593 0.83 CCR3 (0.55) CCR3DRD2DRD3
SCHEMBL7057852 0.82 DRD3 (0.56) CCR3DRD4DRD2DRD3POLB
SCHEMBL4521840 0.81 DRD4 (0.77) DRD4DRD2DRD3HTR2AHTR1A
SCHEMBL18502056 0.81 CHRM4 (0.63) CCR3DRD2DRD3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6402140 0.79 CCR3 (0.71) CCR3DRD4DRD2
Hydrochloric Acid SCHEMBL27570348 0.79 CCR3 (0.71) CCR3DRD4DRD2
SCHEMBL28823593 0.77 CCR3 (0.61) CCR3DRD4DRD2DRD3SLC6A2
SCHEMBL7057804 0.77 DRD3 (0.63) CCR3DRD4DRD2DRD3POLB
SCHEMBL4500805 0.77 PABPC1 (0.76) DRD2
SCHEMBL10723885 0.76 DRD2 (0.72) CCR3DRD4DRD2DRD3HTR2A

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