SCHEMBL9536903

SCHEMBL9536903

OC(CNC1CCc2ccccc2C1)COc1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.84
PRMT5 O14744 6/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
TSHR P16473 1/20 0.63
CYP2C19 P33261 1/20 0.63
THPO P40225 1/20 0.63
NPC1 O15118 1/20 0.63
MTOR P42345 1/20 0.63
RAB9A P51151 1/20 0.63
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
GMNN O75496 1/20 0.59
PMP22 Q01453 1/20 0.59
ADRB3 P13945 4/20 0.48

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
SCHEMBL9535995 0.88 NPY1R (0.65) NPY1RPRMT5TP53CYP1A2CYP3A4
SCHEMBL9533941 0.88 NPY1R (0.65) NPY1RPRMT5TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9587899 0.87 NPY1R (0.64) NPY1RPRMT5TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9586636 0.87 NPY1R (0.64) NPY1RPRMT5TP53CYP1A2CYP3A4
SCHEMBL9588852 0.85 CYP3A4 (0.62) NPY1RPRMT5TP53CYP1A2CYP3A4
SCHEMBL9538527 0.84 TP53 (0.72) NPY1RPRMT5TP53CYP1A2CYP3A4
SCHEMBL9538032 0.83 MEN1 (0.69) NPY1RPRMT5TP53CYP1A2CYP3A4
SCHEMBL9539023 0.83 CYP2D6 (0.59) NPY1RPRMT5TP53CYP1A2CYP3A4
SCHEMBL9536408 0.82 TP53 (0.67) NPY1RPRMT5TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5144170 0.82 KMT2A (0.63) NPY1RTP53CYP1A2CYP3A4CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
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