SCHEMBL19305285

SCHEMBL19305285

O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)ON1CCN(Cc2ccco2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 12/20 0.61
DRD2 P14416 3/20 0.58
DRD1 P21728 3/20 0.58
HRH1 P35367 3/20 0.58
DRD3 P35462 3/20 0.58
DRD5 P21918 2/20 0.58
HRH3 Q9Y5N1 2/20 0.58
LMNA P02545 6/20 0.57
MAPT P10636 6/20 0.57
CYP3A4 P08684 4/20 0.57
MAPK1 P28482 4/20 0.57
USP2 O75604 4/20 0.57
TP53 P04637 3/20 0.57
ABCB11 O95342 2/20 0.57
CYP1A2 P05177 2/20 0.57
ABCB1 P08183 2/20 0.57
HTR1A P08908 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
CYP2D6 P10635 2/20 0.57

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
SCHEMBL466993 0.90 FPR2 (0.63) FPR2DRD2DRD1HRH1DRD3
SCHEMBL1068103 0.79 FPR2 (0.74) FPR2DRD2DRD1HRH1DRD3
SCHEMBL1067508 0.77 FPR2 (0.72) FPR2DRD2DRD1HRH1DRD3
SCHEMBL21445275 0.77 FPR2 (1.00) FPR2DRD2DRD1HRH1DRD3
SCHEMBL3025305 0.76 FPR2 (0.71) FPR2DRD2DRD1HRH1DRD3
SCHEMBL1070185 0.76 FPR2 (0.71) FPR2DRD2DRD1HRH1DRD3
SCHEMBL31322328 0.76 RAD52 (0.72) FPR2DRD2DRD1HRH1DRD3
Hydrochloric Acid SCHEMBL23039348 0.76 FPR2 (0.98) FPR2DRD2DRD1HRH1DRD3
Hydrochloric Acid SCHEMBL1070453 0.76 FPR2 (0.70) FPR2DRD2DRD1HRH1DRD3
SCHEMBL5801554 0.76 FPR2 (0.70) FPR2DRD2DRD1HRH1DRD3

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
EP-1781272-B1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA ESTEVE LABOR DR (ES) 2017-09-06 EP claimed