SCHEMBL8586158

SCHEMBL8586158

COC(=O)c1ccc(COc2ccc(CCN)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
MAPT P10636 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
HTT P42858 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.57
MAOB P27338 3/20 0.56
LMNA P02545 1/20 0.56
PARP10 Q53GL7 1/20 0.55
CTSK P43235 1/20 0.54
POLB P06746 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
SCHEMBL11350421 0.89 RAB9A (0.82) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL10236929 0.89 RAB9A (0.82) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL18569721 0.88 LOXL2 (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL255214 0.88 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL254368 0.88 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL230590 0.87 LOXL2 (0.72) MAPTMEN1KMT2AALDH1A1LOXL2
SCHEMBL9369169 0.87 RAB9A (0.74) NPC1RAB9ASMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL206386 0.86 LOXL2 (0.70) MAPTALDH1A1LOXL2
SCHEMBL8585808 0.85 MRGPRX4 (0.67) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL3729907 0.84 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998037056-A1 PHENOXYPROPANOLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1998-08-27 WO disclosed