SCHEMBL12682199

SCHEMBL12682199

N[C@@H](CC1(O)CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL17724375 1.00 SCN4A (0.41) SCN4AOPRM1OPRD1OPRK1OPRL1
SCHEMBL19305438 1.00 SCN4A (0.41) SCN4AOPRM1OPRD1OPRK1OPRL1
SCHEMBL12495465 0.81 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1DPP4
SCHEMBL4618228 0.74 SLC6A2 (0.45) OPRM1GRIN2B
SCHEMBL4625904 0.73 MME (0.36) OPRM1OPRD1OPRK1OPRL1DPP4
SCHEMBL10418527 0.72 CYP2C19 (0.42)
SCHEMBL535200 0.72 CYP2D6 (0.38) SCN4A
SCHEMBL5695495 0.69 USP19 (0.38) OPRM1OPRD1OPRK1OPRL1
SCHEMBL101140 0.69 DPP4 (0.50) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL30559582 0.69 DPP4 (0.50) SCN4ADPP4F2GRIN2DGRIN3B

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-2683704-B1 BRANCHED OXATHIAZINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF SANOFI SA (FR) 2014-12-17 EP disclosed
US-8828995-B2 Branched oxathiazine derivatives, method for the production thereof, use thereof as medicine and drug containing said derivatives and use thereof SANOFI (FR) 2014-09-09 US disclosed
US-8828995-B2 Branched oxathiazine derivatives, method for the production thereof, use thereof as medicine and drug containing said derivatives and use thereof SANOFI (FR) 2014-09-09 US disclosed
WO-2012120053-A1 BRANCHED OXATHIAZINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF SANOFI (FR) 2012-09-13 WO disclosed