SCHEMBL17027449

SCHEMBL17027449

CC1OC2(CC[NH+]([O-])CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL29190477 0.80 TMEM97 (0.41) SIGMAR1ADRA2ATMEM97
SCHEMBL12622887 0.79 TMEM97 (0.40) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL2360287 0.78 SIGMAR1 (0.52) SIGMAR1ADRA2AOPRM1OPRD1
SCHEMBL3406036 0.78 SIGMAR1 (0.37) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL736557 0.78 SIGMAR1 (0.52) SIGMAR1ADRA2AOPRM1OPRD1
SCHEMBL24203981 0.76 MEN1 (0.37) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL11864088 0.76 SIGMAR1 (0.54) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL30376318 0.76 MEN1 (0.37) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL11401467 0.74 TMEM97 (0.47) SIGMAR1ADRA2AOPRM1TMEM97
SCHEMBL11401469 0.74 TMEM97 (0.47) SIGMAR1ADRA2AOPRM1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107916-A1 SPIRO-OXAZOLONES F. Hoffmann-La Roche AG (CH) 2016-12-28 — — EP disclosed
WO-2015124541-A1 SPIRO-OXAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2015-08-27 — — WO disclosed
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