SCHEMBL7053083

SCHEMBL7053083

O=C(NCCCCN1CCC(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.63
SLC6A2 P23975 5/20 0.61
SLC6A4 P31645 5/20 0.61
TMEM97 Q5BJF2 5/20 0.60
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL7058740 0.89 SLC6A2 (0.63) CCR3SLC6A2SLC6A4TMEM97DRD2
SCHEMBL7056585 0.87 CCR3 (0.67) CCR3SLC6A2SLC6A4TMEM97DRD2
SCHEMBL7060979 0.84 DRD2 (0.52) CCR3DRD2DRD3ADRA1A
SCHEMBL7057153 0.84 CCR3 (0.54) CCR3SLC6A2SLC6A4TMEM97DRD2
SCHEMBL7050625 0.83 DRD2 (0.54) CCR3SLC6A2SLC6A4DRD2DRD3
SCHEMBL7057298 0.82 DRD2 (0.57) CCR3SLC6A2SLC6A4TMEM97DRD2
Hydrochloric Acid SCHEMBL7059854 0.81 CCR3 (0.51) CCR3SLC6A2SLC6A4TMEM97DRD2
SCHEMBL7057687 0.80 CCR3 (0.50) CCR3SLC6A2SLC6A4TMEM97DRD2
Hydrochloric Acid SCHEMBL7052602 0.78 DRD4 (0.53) CCR3SLC6A2SLC6A4TMEM97DRD2
SCHEMBL7119593 0.75 CCR3 (0.55) CCR3DRD2DRD3ADRA1A

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