SCHEMBL7058078

SCHEMBL7058078

O=C(NCCCCN1CCC(Nc2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.56
DRD3 P35462 15/20 0.56
ADRA1A P35348 1/20 0.47
CHRM4 P08173 2/20 0.46
HPGDS O60760 2/20 0.46
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 2/20 0.42
DRD4 P21917 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 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
SCHEMBL7053551 0.89 DRD2 (0.45) DRD2DRD3ADRA1AKDM4EPOLB
SCHEMBL7053088 0.88 DRD3 (0.49) DRD2DRD3ADRA1ACHRM4RAB9A
SCHEMBL7057222 0.85 DRD2 (0.77) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL7119593 0.83 CCR3 (0.55) DRD2DRD3ADRA1A
SCHEMBL7057584 0.81 DRD3 (0.69) DRD2DRD3ADRA1ADRD4
SCHEMBL7060979 0.81 DRD2 (0.52) DRD2DRD3ADRA1ADRD4
SCHEMBL7055659 0.81 DRD2 (0.50) DRD2DRD3ADRA1A
SCHEMBL7054406 0.78 DRD3 (0.57) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL7051851 0.76 DRD3 (0.49) DRD2DRD3RAB9ASMN1; SMN2DRD4
Hydrochloric Acid SCHEMBL7056135 0.76 DRD4 (0.59) DRD2DRD3ADRA1AHTR1ADRD4

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