SCHEMBL7060979

SCHEMBL7060979

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.52
DRD3 P35462 6/20 0.52
ADRA1A P35348 1/20 0.52
CCR2 P41597 2/20 0.51
CCR3 P51677 3/20 0.49
TSHR P16473 1/20 0.48
DRD4 P21917 1/20 0.47
UBE2M P61081 2/20 0.46
DCUN1D1 Q96GG9 2/20 0.46
NAMPT P43490 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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 0.92 CCR3 (0.55) DRD2DRD3ADRA1ACCR2CCR3
SCHEMBL7055659 0.89 DRD2 (0.50) DRD2DRD3ADRA1ACCR2CCR3
SCHEMBL7057584 0.88 DRD3 (0.69) DRD2DRD3ADRA1ADRD4
SCHEMBL7053083 0.84 CCR3 (0.63) DRD2DRD3ADRA1ACCR3
Hydrochloric Acid SCHEMBL7058141 0.83 DRD2 (0.53) DRD2DRD3ADRA1ACCR2CCR3
SCHEMBL7050625 0.83 DRD2 (0.54) DRD2DRD3ADRA1ACCR2CCR3
SCHEMBL7052427 0.83 DRD2 (0.48) DRD2DRD3ADRA1ACCR2CCR3
SCHEMBL7052435 0.83 DRD2 (0.48) DRD2DRD3ADRA1ACCR2CCR3
Hydrochloric Acid SCHEMBL7055535 0.82 MAPT (0.54) DRD2DRD3ADRA1ACCR2UBE2M
SCHEMBL7054406 0.82 DRD3 (0.57) DRD2DRD3ADRA1ACCR3DRD4

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