SCHEMBL6900789

SCHEMBL6900789

CC[C@@]12CCCC[C@@H]1[C@@H](N)Cc1ccc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 11/20 0.49
▸ OPRD1 P41143 9/20 0.46
▸ OPRK1 P41145 7/20 0.46
▸ GRIN2D O15399 3/20 0.46
▸ GRIN3B O60391 3/20 0.46
▸ GRIN1 Q05586 3/20 0.46
▸ GRIN2A Q12879 3/20 0.46
▸ GRIN2B Q13224 3/20 0.46
▸ GRIN2C Q14957 3/20 0.46
▸ GRIN3A Q8TCU5 3/20 0.46
▸ SLC22A1 O15245 3/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ SCN1A P35498 2/20 0.46
▸ MRGPRX2 Q96LB1 2/20 0.46
▸ SCN2A Q99250 2/20 0.46
▸ SCN3A Q9NY46 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL22891911 0.82 OPRM1 (0.45) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL11701292 0.82 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL11704239 0.82 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL11699756 0.82 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL11699749 0.82 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL6900793 0.81 OPRM1 (0.38) OPRM1OPRD1OPRK1SLC6A4
SCHEMBL7003941 0.81 OPRM1 (0.44) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL23329627 0.78 OPRM1 (0.39) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL23329768 0.76 OPRM1 (0.40) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL14426315 0.75 NR3C1 (0.50) OPRM1OPRD1OPRK1

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
WO-2011014003-A2 (+)-3-HYDROXYMORPHINAN DERIVATIVES AS NEUROPROTECTANTS GREEN CROSS CORPORATION (KR) 2011-02-03 — — WO disclosed
Send feedback