SCHEMBL9536401

SCHEMBL9536401

OCC(O)CNC1CCc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
THPO P40225 1/20 0.59
NPC1 O15118 1/20 0.59
MTOR P42345 1/20 0.59
RAB9A P51151 1/20 0.59
GRIN2B Q13224 5/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
GMNN O75496 1/20 0.55
LMNA P02545 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOA P21397 1/20 0.54

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
SCHEMBL17560270 0.87 PRMT5 (0.58) PRMT5TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9536408 0.85 TP53 (0.67) PRMT5TP53CYP1A2CYP3A4CYP2D6
SCHEMBL19351868 0.82 PRMT5 (0.60) PRMT5TP53CYP1A2CYP3A4CYP2D6
SCHEMBL14500131 0.81 GRIN2B (0.57) PRMT5TP53CYP1A2CYP3A4CYP2D6
SCHEMBL17560103 0.79 PRMT5 (0.54) PRMT5TP53CYP1A2CYP3A4CYP2D6
SCHEMBL19351871 0.79 TP53 (0.56) PRMT5TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9538527 0.77 TP53 (0.72) PRMT5TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9537748 0.77 CYP1A2 (0.76) PRMT5TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9536903 0.77 NPY1R (0.84) PRMT5TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9535328 0.77 CYP1A2 (0.76) PRMT5TP53CYP1A2CYP3A4CYP2D6

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