SCHEMBL20170833

SCHEMBL20170833

COc1cc(Br)c2c3c1O[C@@H]1C(=O)CCC4C(N)C2(C)C[C@]341

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.43
OPRM1 P35372 4/20 0.43
OPRK1 P41145 3/20 0.43
LMNA P02545 1/20 0.43
PDE4D Q08499 1/20 0.43
MRGPRX2 Q96LB1 1/20 0.43
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL20170598 0.82 OPRM1 (0.38) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL20170804 0.81 OPRM1 (0.41) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL20170771 0.80 OPRM1 (0.40) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12944958 0.74 OPRD1 (0.43) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL20170597 0.74 OPRD1 (0.43) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12944957 0.72 OPRM1 (0.42) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL20170708 0.72 OPRM1 (0.42) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12646374 0.71 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL21202045 0.71 OPRD1 (0.56) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL18457908 0.71 OPRD1 (0.69) OPRD1OPRM1OPRK1LMNAPDE4D

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