SCHEMBL6877183

SCHEMBL6877183

O=C(Oc1ccccc1)N1CC[C@H](O)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.73
RAB9A P51151 1/20 0.73
GAA P10253 1/20 0.65
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRNA7 P36544 1/20 0.50
HTR3A P46098 1/20 0.50
MGLL Q99685 1/20 0.50
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDE4B Q07343 1/20 0.48
NPY2R P49146 1/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP3 P42574 1/20 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
SCHEMBL27540830 1.00 NPC1 (0.73) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL5871961 1.00 NPC1 (0.73) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL5968846 0.91 NPC1 (0.61) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL6880743 0.90 NPC1 (0.88) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL6881544 0.88 NPC1 (0.59) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL28217739 0.86 NPC1 (0.62) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL8480175 0.84 NPC1 (1.00) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL30865732 0.83 NPC1 (0.52) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL31669154 0.83 GAA (0.63) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL28137106 0.83 GAA (0.82) NPC1RAB9AGAAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131460-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 3-HYDROXY-PYRROLIDINE DERIVATIVEES BY ENZYMATIC HYDROXYLATION EIDGENOESS TECH HOCHSCHULE (CH) 2004-10-06 EP disclosed
EP-1131460-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 3-HYDROXY-PYRROLIDINE DERIVATIVEES BY ENZYMATIC HYDROXYLATION Eidgenössische Technische Hochschule Zürich (CH) 2001-09-12 EP disclosed
CN-1311333-A Micro-organism method for prepn. of optical 3-hydroxy pyrrolidine derivatives PFIZER PRODUCTS CO (US) 2001-09-05 CN disclosed
WO-2000029606-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE-3-HYDROXY-PYRROLIDINE DERIVATIVES BY ENZYMATIC HYDROXYLATION Eidgenössische Technische Hochschule Zürich (CH) 2000-05-25 WO disclosed