SCHEMBL7585517

SCHEMBL7585517

CN1CCc2ccccc2C1c1cccc(C#N)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.65
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
DRD2 P14416 5/20 0.46
DRD3 P35462 4/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
DRD1 P21728 3/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP1 P29466 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5248372 0.85 PRCP (0.70) PRCPSLC6A4SLC6A3DRD2TRPM8
SCHEMBL28759510 0.81 PRCP (0.72) PRCPDRD2DRD1
SCHEMBL29783561 0.81 PRCP (0.72) PRCPDRD2DRD1
SCHEMBL30515740 0.81 PRCP (0.72) PRCPDRD2DRD1
SCHEMBL25604565 0.80 PRCP (1.00) PRCPDRD2DRD1
SCHEMBL13928812 0.80 PRCP (1.00) PRCPDRD2DRD1
SCHEMBL8415128 0.80 PRCP (1.00) PRCPDRD2DRD1
Iodide SCHEMBL27518895 0.78 PRCP (0.97) PRCPDRD2DRD1
SCHEMBL7585522 0.76 PRCP (0.60) PRCPSLC6A4SLC6A3DRD2DRD3
SCHEMBL7598724 0.74 PRCP (0.66) PRCPSLC6A4SLC6A3DRD2TRPM8

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