SCHEMBL7058740

SCHEMBL7058740

O=C(NCCCCN1CCC(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.63
SLC6A4 P31645 4/20 0.63
CCR3 P51677 6/20 0.61
TMEM97 Q5BJF2 6/20 0.58
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
CHRM4 P08173 2/20 0.55

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
SCHEMBL7053083 0.89 CCR3 (0.63) SLC6A2SLC6A4CCR3TMEM97DRD2
SCHEMBL7057153 0.85 CCR3 (0.54) SLC6A2SLC6A4CCR3TMEM97DRD2
Hydrochloric Acid SCHEMBL7059854 0.82 CCR3 (0.51) SLC6A2SLC6A4CCR3TMEM97DRD2
SCHEMBL7057687 0.82 CCR3 (0.50) SLC6A2SLC6A4CCR3TMEM97DRD2
SCHEMBL7057298 0.81 DRD2 (0.57) SLC6A2SLC6A4CCR3TMEM97DRD2
SCHEMBL7056585 0.80 CCR3 (0.67) SLC6A2SLC6A4CCR3TMEM97DRD2
Hydrochloric Acid SCHEMBL7052602 0.77 DRD4 (0.53) SLC6A2SLC6A4CCR3TMEM97DRD2
SCHEMBL18507049 0.75 L3MBTL3 (0.58) SLC6A2SLC6A4DRD2DRD3CHRM4
SCHEMBL7119593 0.73 CCR3 (0.55) CCR3DRD2DRD3
SCHEMBL3117938 0.73 SLC6A2 (0.49) SLC6A2SLC6A4CCR3TMEM97DRD2

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