SCHEMBL7052427

SCHEMBL7052427

O=C(NCCCCN1CCC(Nc2cccc(C(F)(F)F)c2)CC1)c1ccc2[nH]cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.48
DRD3 P35462 5/20 0.48
ADRA1A P35348 1/20 0.48
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
CCR3 P51677 1/20 0.43
CCR2 P41597 6/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
NAMPT P43490 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL7052435 0.94 DRD2 (0.48) DRD2DRD3ADRA1AHTR1AHTR2A
Hydrochloric Acid SCHEMBL7058141 0.85 DRD2 (0.53) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL7119593 0.83 CCR3 (0.55) DRD2DRD3ADRA1ACCR3CCR2
SCHEMBL7057584 0.83 DRD3 (0.69) DRD2DRD3ADRA1A
SCHEMBL7060979 0.83 DRD2 (0.52) DRD2DRD3ADRA1ACCR3CCR2
SCHEMBL7055659 0.83 DRD2 (0.50) DRD2DRD3ADRA1ACCR3CCR2
SCHEMBL7054406 0.81 DRD3 (0.57) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL7057796 0.78 DRD3 (0.71) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL7053098 0.76 RAB9A (0.53) DRD2DRD3HTR1AHTR2ACCR3
SCHEMBL7053551 0.76 DRD2 (0.45) DRD2DRD3ADRA1AHTR1AHTR2A

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