SCHEMBL7598346

SCHEMBL7598346

COc1ccc2c(c1)C(c1ccc(C)c(F)c1)N(C)CC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
MAPT P10636 1/20 0.47
DRD1 P21728 3/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
PRCP P42785 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
SCHEMBL6253578 0.90 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3DRD1DRD2
SCHEMBL5244479 0.84 CA1 (0.55) DRD1DRD2DRD4CA1CA2
SCHEMBL7592205 0.81 PRCP (0.62) SLC6A2SLC6A4SLC6A3DRD1DRD2
SCHEMBL16280607 0.81 DRD2 (0.45) DRD1DRD2CA1CA2CA9
SCHEMBL5245716 0.80 KDM4E (0.51) MAPTDRD1DRD2CA1CA2
SCHEMBL28942533 0.80 PRCP (0.64) SLC6A2SLC6A4SLC6A3DRD1DRD2
SCHEMBL29783557 0.80 PRCP (0.64) SLC6A2SLC6A4SLC6A3DRD1DRD2
SCHEMBL5244484 0.79 SMN1; SMN2 (0.52) DRD1DRD2CA1CA2CA9
SCHEMBL4467003 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3DRD1DRD2
SCHEMBL14354453 0.76 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3DRD1DRD2

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