SCHEMBL11263244

SCHEMBL11263244

COc1ccc2c(c1O)[C@]13CCN[C@H](C2)[C@@H]1CC(C)C(=O)C3

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.44
MRGPRX2 Q96LB1 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRD1 P41143 2/20 0.42
SLC22A1 O15245 1/20 0.39
TSHR P16473 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 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
SCHEMBL11263235 1.00 GAA (0.47) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL12960706 0.90 GAA (0.47) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL12006858 0.90 GAA (0.47) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL4127868 0.90 GAA (0.47) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL12013632 0.90 GAA (0.47) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL14768978 0.82 GAA (0.66) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL10222582 0.82 GAA (0.66) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL11497217 0.82 OPRM1 (0.35) GAACYP3A4CYP2D6OPRD1SLC22A1
SCHEMBL11262516 0.82 MAPT (0.44) GAAMAPTMRGPRX2CYP3A4CYP2D6
SCHEMBL11364379 0.82 MAPT (0.44) GAAMAPTMRGPRX2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023576-B1 7- AND 7,8-SUBSTITUTED 4,5-ALPHA-EPOXYMORPHINAN-6-ONES AND THERAPEUTICALLY ACTIVE COMPOSITIONS CONTAINING THEM MILES LABORATORIES, INC. (US) 1982-06-23 EP disclosed
US-4272541-A 7,8 and 7-8 Substituted 4,5α-epoxymorphinan-6-one compounds, and methods of treating pain and drug dependence with them MILES LABORATORIES, INC. (US) 1981-06-09 US disclosed
EP-0023576-A1 7- and 7,8-substituted 4,5-alpha-epoxymorphinan-6-ones and therapeutically active compositions containing them MILES LABORATORIES, INC. (US) 1981-02-11 EP disclosed