SCHEMBL7592205

SCHEMBL7592205

Cc1ccc(C2c3ccccc3CCN2C)cc1F

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.62
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A3 Q01959 3/20 0.54
TRPM8 Q7Z2W7 1/20 0.45
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
CHRM3 P20309 1/20 0.41

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
SCHEMBL6257081 0.89 PRCP (0.62) PRCPSLC6A2SLC6A4SLC6A3TRPM8
SCHEMBL7598724 0.89 PRCP (0.66) PRCPSLC6A2SLC6A4SLC6A3TRPM8
SCHEMBL22784853 0.81 PRCP (0.77) PRCPTRPM8DRD2DRD1CHRM3
SCHEMBL30965968 0.81 PRCP (0.77) PRCPTRPM8DRD2DRD1CHRM3
SCHEMBL29783569 0.81 PRCP (0.77) PRCPTRPM8DRD2DRD1CHRM3
SCHEMBL5245455 0.81 PRCP (0.77) PRCPTRPM8DRD2DRD1CHRM3
SCHEMBL7598346 0.81 SLC6A2 (0.53) PRCPSLC6A2SLC6A4SLC6A3DRD2
SCHEMBL7584352 0.80 PRCP (0.69) PRCPSLC6A4MEN1CYP3A4KMT2A
SCHEMBL30515740 0.79 PRCP (0.72) PRCPDRD2DRD1OPRM1OPRK1
SCHEMBL28759510 0.79 PRCP (0.72) PRCPDRD2DRD1OPRM1OPRK1

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 claimed
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 claimed