SCHEMBL7165915

SCHEMBL7165915

OC[C@@]1(O)O[C@@H](CNCCc2ccccc2)[C@@H](O)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.43
▸ SI P14410 1/20 0.43
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ GLB1 P16278 1/20 0.39
▸ SIGMAR1 Q99720 5/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MPO P05164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL7165918 1.00 MGAM (0.43) MGAMSIHTR2AHRH1GLB1
SCHEMBL7162918 0.92 SIGMAR1 (0.45) MGAMSIHTR2AHRH1SIGMAR1
SCHEMBL7162923 0.92 SIGMAR1 (0.45) MGAMSIHTR2AHRH1SIGMAR1
SCHEMBL7160701 0.91 SIGMAR1 (0.45) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL7160694 0.91 SIGMAR1 (0.45) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL7160527 0.90 SIGMAR1 (0.48) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL7165198 0.90 SIGMAR1 (0.48) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL7161637 0.90 SIGMAR1 (0.48) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL7165202 0.90 SIGMAR1 (0.48) HTR2AHRH1SIGMAR1ALDH1A1
SCHEMBL7160533 0.90 SIGMAR1 (0.48) HTR2AHRH1SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552176-B2 One pot G. D. SEARLE & CO. 2003-04-22 — — US disclosed
US-20010019837-A1 PROCESS FOR MICROBIALLY OXIDIZING N-SUBSTITUTED GLUCAMINES GRABNER ROY WALTER (US) 2001-09-06 — — US disclosed
US-5916784-A Process for microbially oxidizing N-substituted glucamines G.D. SEARLE & COMPANY (US) 1999-06-29 — — US disclosed
US-5610039-A OXIDIZING A GLUCAMINE TO PRODUCE AN INTERMEDIATE COMPOUND AND REDUCING INTERMEDIATE G. D. SEARLE & CO. (US) 1997-03-11 — — US disclosed
US-5602013-A Process for producing N-substituted-1-deoxynojirimycin G. D. SEARLE & CO. (US) 1997-02-11 — — US disclosed
EP-0477160-B1 Process for producing N-substituted-1-deoxynojirimycin MONSANTO CO (US) 1996-04-24 — — EP disclosed
EP-0477160-A1 Process for producing N-substituted-1-deoxynojirimycin MONSANTO COMPANY (US) 1992-03-25 — — EP disclosed
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