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SCHEMBL20170876

SCHEMBL20170876

COC(=O)/C=C/c1cc(OC)c2c3c1C1(C)C[C@]34C(O2)C(=O)CCC4C1N(C)CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.36
▸ OPRD1 P41143 13/20 0.34
▸ OPRK1 P41145 12/20 0.34
▸ LMNA P02545 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MRGPRX2 Q96LB1 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL20170802 0.85 OPRD1 (0.35) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL20170804 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL20170594 0.80 OPRM1 (0.33) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL18473431 0.77 OPRM1 (0.38) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12944956 0.77 OPRD1 (0.41) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL20170771 0.74 OPRM1 (0.40) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL22058342 0.74 OPRM1 (0.44) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL18473433 0.71 OPRD1 (0.48) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL18458097 0.71 OPRD1 (0.48) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL22058341 0.71 OPRD1 (0.48) OPRM1OPRD1OPRK1LMNAPDE4D

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-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 — — EP disclosed