SCHEMBL7584352

SCHEMBL7584352

CN1CCc2ccccc2C1c1cc(F)cc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.69
DRD1 P21728 3/20 0.46
DRD2 P14416 2/20 0.46
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL30965968 0.86 PRCP (0.77) PRCPDRD1DRD2
SCHEMBL29783569 0.86 PRCP (0.77) PRCPDRD1DRD2
SCHEMBL5245455 0.86 PRCP (0.77) PRCPDRD1DRD2
SCHEMBL22784853 0.86 PRCP (0.77) PRCPDRD1DRD2
SCHEMBL7598724 0.82 PRCP (0.66) PRCPDRD1DRD2MEN1CYP3A4
SCHEMBL13928812 0.82 PRCP (1.00) PRCPDRD1DRD2
SCHEMBL8415128 0.82 PRCP (1.00) PRCPDRD1DRD2
SCHEMBL25604565 0.82 PRCP (1.00) PRCPDRD1DRD2
Iodide SCHEMBL27518895 0.81 PRCP (0.97) PRCPDRD1DRD2
SCHEMBL7592205 0.80 PRCP (0.62) PRCPDRD1DRD2MEN1CYP3A4

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