SCHEMBL7052435

SCHEMBL7052435

O=C(NCCCCN1CCC(Nc2cccc(C(F)(F)F)c2)CC1)c1ccc2nc[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
DRD3 P35462 5/20 0.48
ADRA1A P35348 1/20 0.48
CCR2 P41597 2/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 1/20 0.47
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
SMYD3 Q9H7B4 1/20 0.43
CCR3 P51677 1/20 0.43
DRD4 P21917 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTT P42858 1/20 0.43
HTR2C P28335 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 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
SCHEMBL7052427 0.94 DRD2 (0.48) DRD2DRD3ADRA1ACCR2KCNH2
Hydrochloric Acid SCHEMBL7058141 0.83 DRD2 (0.53) DRD2DRD3ADRA1ACCR2HTR1A
SCHEMBL7119593 0.83 CCR3 (0.55) DRD2DRD3ADRA1ACCR2CCR3
SCHEMBL7057584 0.83 DRD3 (0.69) DRD2DRD3ADRA1ADRD4
SCHEMBL7060979 0.83 DRD2 (0.52) DRD2DRD3ADRA1ACCR2CCR3
SCHEMBL7055659 0.83 DRD2 (0.50) DRD2DRD3ADRA1ACCR2CCR3
SCHEMBL7054406 0.81 DRD3 (0.57) DRD2DRD3ADRA1AKCNH2HTR1A
SCHEMBL7057796 0.78 DRD3 (0.71) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL7053098 0.76 RAB9A (0.53) DRD2DRD3CCR2MAPTHTR1A
Hydrochloric Acid SCHEMBL7055535 0.76 MAPT (0.54) DRD2DRD3ADRA1ACCR2MAPT

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