SCHEMBL4653920

SCHEMBL4653920

CC(C)(C)N(C(=O)O)[C@@H]1Cc2ccccc2[C@H]1CSCCO

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.32
▸ OPRM1 P35372 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PYGL P06737 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL4653922 1.00 RAB9A (0.32) RAB9AOPRM1ALDH1A1PYGLXBP1
SCHEMBL4143330 0.84 OPRM1 (0.35) RAB9AOPRM1ALDH1A1XBP1HTT
SCHEMBL4143326 0.84 OPRM1 (0.35) RAB9AOPRM1ALDH1A1XBP1HTT
SCHEMBL4910830 0.82 OPRM1 (0.34) RAB9AOPRM1ALDH1A1XBP1HTT
SCHEMBL4910840 0.82 OPRM1 (0.34) RAB9AOPRM1ALDH1A1XBP1HTT
SCHEMBL4654125 0.79 PYGL (0.34) RAB9AOPRM1ALDH1A1PYGLXBP1
SCHEMBL4654129 0.79 PYGL (0.34) RAB9AOPRM1ALDH1A1PYGLXBP1
SCHEMBL4652761 0.76 KCNA5 (0.33) RAB9AALDH1A1XBP1HTTMTNR1A
SCHEMBL4652759 0.76 KCNA5 (0.33) RAB9AALDH1A1XBP1HTTMTNR1A
SCHEMBL4914550 0.75 RAB9A (0.32) RAB9AALDH1A1XBP1HTT

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
EP-1658067-B1 INDOLAMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2008-11-12 — — EP disclosed
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