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SCHEMBL20170771

SCHEMBL20170771

C=CCN(C)C1C2CCC(=O)[C@H]3Oc4c(OC)cc(Br)c5c4[C@@]23CC51C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ MRGPRX2 Q96LB1 1/20 0.38
▸ 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
SCHEMBL20170804 0.88 OPRM1 (0.41) OPRM1OPRD1LMNAOPRK1PDE4D
SCHEMBL20170833 0.80 OPRD1 (0.43) OPRM1OPRD1LMNAOPRK1PDE4D
SCHEMBL20170598 0.77 OPRM1 (0.38) OPRM1OPRD1LMNAOPRK1PDE4D
SCHEMBL20170708 0.75 OPRM1 (0.42) OPRM1OPRD1LMNAOPRK1PDE4D
SCHEMBL12944957 0.75 OPRM1 (0.42) OPRM1OPRD1LMNAOPRK1PDE4D
SCHEMBL20170718 0.74 GAA (0.36) OPRM1OPRD1OPRK1
SCHEMBL20170876 0.74 OPRM1 (0.36) OPRM1OPRD1LMNAOPRK1PDE4D
SCHEMBL22058988 0.71 OPRM1 (0.49) OPRM1OPRD1LMNAOPRK1PDE4D
SCHEMBL12944958 0.69 OPRD1 (0.43) OPRM1OPRD1LMNAOPRK1PDE4D
SCHEMBL20170597 0.69 OPRD1 (0.43) OPRM1OPRD1LMNAOPRK1PDE4D

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