SCHEMBL7585522

SCHEMBL7585522

CN1CCc2ccccc2C1c1ccccc1C#N

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.60
DRD2 P14416 4/20 0.48
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
DRD1 P21728 3/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
DRD3 P35462 1/20 0.40

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 0.79 PRCP (0.70) PRCPDRD2TRPM8DRD1SLC6A4
SCHEMBL7585517 0.76 PRCP (0.65) PRCPDRD2TRPM8DRD1SLC6A4
SCHEMBL25604565 0.76 PRCP (1.00) PRCPDRD2DRD1
SCHEMBL8415128 0.76 PRCP (1.00) PRCPDRD2DRD1
SCHEMBL13928812 0.76 PRCP (1.00) PRCPDRD2DRD1
SCHEMBL12312005 0.75 PRCP (0.56) PRCPDRD2HTR1AHTR7DRD1
Iodide SCHEMBL27518895 0.74 PRCP (0.97) PRCPDRD2DRD1
SCHEMBL8021507 0.73 PRCP (0.61) PRCPDRD2HTR1ADRD1DRD4
SCHEMBL8023492 0.73 PRCP (0.61) PRCPDRD2HTR1ADRD1DRD4
SCHEMBL811761 0.73 PRCP (0.61) PRCPDRD2HTR1ADRD1DRD4

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