SCHEMBL7598724

SCHEMBL7598724

CN1CCc2ccccc2C1c1ccc(F)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.66
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CHRM3 P20309 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.47
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44

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
SCHEMBL7592205 0.89 PRCP (0.62) PRCPSLC6A2SLC6A4SLC6A3CHRM3
SCHEMBL6257081 0.89 PRCP (0.62) PRCPSLC6A2SLC6A4SLC6A3CHRM3
SCHEMBL29783569 0.84 PRCP (0.77) PRCPCHRM3TRPM8DRD2DRD1
SCHEMBL22784853 0.84 PRCP (0.77) PRCPCHRM3TRPM8DRD2DRD1
SCHEMBL30965968 0.84 PRCP (0.77) PRCPCHRM3TRPM8DRD2DRD1
SCHEMBL5245455 0.84 PRCP (0.77) PRCPCHRM3TRPM8DRD2DRD1
SCHEMBL7584352 0.82 PRCP (0.69) PRCPSLC6A4MEN1CYP3A4KMT2A
SCHEMBL29783566 0.81 PRCP (0.77) PRCPSLC6A2SLC6A4SLC6A3CHRM3
SCHEMBL5244522 0.81 PRCP (0.77) PRCPSLC6A2SLC6A4SLC6A3CHRM3
SCHEMBL6253578 0.80 SLC6A2 (0.51) PRCPSLC6A2SLC6A4SLC6A3DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246805-A1 4-PHENYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2002-10-09 EP disclosed
WO-2001032624-A1 4-PHENYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN DU PONT PHARMACEUTICALS COMPANY (US) 2001-05-10 WO disclosed