SCHEMBL4602232

SCHEMBL4602232

C[C@H](c1ccccc1)N1CC[C@@H](c2ccc(OCc3ccccc3)cc2)[C@H](O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.54
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 1/20 0.44
CCR5 P51681 2/20 0.43
KDM1A O60341 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ALOX5 P09917 1/20 0.42
FDFT1 P37268 1/20 0.42
S1PR5 Q9H228 1/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL27488557 1.00 CHRM4 (0.54) CHRM4NPC1RAB9AMAPK1CCR5
SCHEMBL6625512 1.00 CHRM4 (0.54) CHRM4NPC1RAB9AMAPK1CCR5
SCHEMBL4601018 1.00 CHRM4 (0.54) CHRM4NPC1RAB9AMAPK1CCR5
Hydrochloric Acid SCHEMBL4600885 0.99 CHRM4 (0.53) CHRM4NPC1RAB9AMAPK1CCR5
SCHEMBL16897945 0.78 NPC1 (0.51) NPC1RAB9AMAPK1KDM1AMAOA
SCHEMBL16897870 0.78 NPC1 (0.51) NPC1RAB9AMAPK1KDM1AMAOA
SCHEMBL2295519 0.78 CHRM4 (0.47) CHRM4MAPK1ALOX5FDFT1TP53
SCHEMBL3272030 0.78 CHRM4 (0.43) CHRM4NPC1RAB9AMAPK1ALOX5
SCHEMBL2295049 0.78 CHRM4 (0.47) CHRM4MAPK1ALOX5FDFT1TP53
SCHEMBL2297996 0.78 CHRM4 (0.47) CHRM4MAPK1ALOX5FDFT1TP53

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
EP-0979819-B1 Process for the production of substituted 3-hydroxypiperidines SPEEDEL PHARMA AG (CH) 2008-04-23 EP disclosed
US-6274735-B1 RENIN INHIBITORS HOFFMANN-LA ROCHE INC. 2001-08-14 US disclosed
EP-0979819-A1 Process for the production of substituted 3-hydroxypiperidines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP disclosed