SCHEMBL9533941

SCHEMBL9533941

Oc1ccc2c(c1)CC(NCC(O)COc1ccc(Cl)cc1)CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.65
PRMT5 O14744 3/20 0.52
DRD3 P35462 2/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
ADRB3 P13945 8/20 0.50
ADRB1 P08588 3/20 0.50
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
NPC1 O15118 1/20 0.49
MTOR P42345 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46

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
Hydrochloric Acid SCHEMBL9587899 0.99 NPY1R (0.64) NPY1RPRMT5DRD3DRD2DRD4
SCHEMBL9537137 0.89 ADRB3 (0.56) NPY1RDRD3DRD2DRD4ADRB3
SCHEMBL9536903 0.88 NPY1R (0.84) NPY1RPRMT5ADRB3ADRB1TP53
Hydrochloric Acid SCHEMBL9587385 0.88 ADRB3 (0.55) NPY1RDRD3DRD2DRD4ADRB3
SCHEMBL9536728 0.86 NPY1R (0.53) NPY1RDRD3DRD2DRD4ADRB3
Hydrochloric Acid SCHEMBL9587381 0.85 NPY1R (0.52) NPY1RDRD3DRD2DRD4ADRB3
SCHEMBL9536618 0.85 ADRB1 (0.51) NPY1RDRD3DRD2DRD4ADRB3
Hydrochloric Acid SCHEMBL9587710 0.84 ADRB2 (0.50) NPY1RDRD3DRD2DRD4ADRB3
SCHEMBL9534612 0.83 TP53 (0.60) NPY1RPRMT5DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL9587219 0.82 TP53 (0.59) NPY1RPRMT5DRD3DRD2DRD4

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-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed