SCHEMBL20170822

SCHEMBL20170822

CN[C@H]1Cc2ccc(OC)c3c2C2(C)[C@H](O3)C(NCCO)CC[C@H]12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.51
OPRK1 P41145 9/20 0.42
MRGPRX2 Q96LB1 1/20 0.37
MAPT P10636 1/20 0.37
OPRD1 P41143 5/20 0.37

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
SCHEMBL20170646 0.82 OPRM1 (0.42) OPRM1OPRK1
SCHEMBL20170750 0.79 OPRM1 (0.51) OPRM1OPRK1MRGPRX2MAPTOPRD1
SCHEMBL20170638 0.76 OPRM1 (0.64) OPRM1OPRK1MRGPRX2MAPTOPRD1
SCHEMBL20170727 0.76 OPRM1 (0.64) OPRM1OPRK1MRGPRX2MAPTOPRD1
SCHEMBL18457720 0.75 OPRD1 (0.64) OPRM1OPRK1MRGPRX2OPRD1
SCHEMBL12960908 0.75 OPRD1 (0.64) OPRM1OPRK1MRGPRX2OPRD1
SCHEMBL20170736 0.75 OPRM1 (0.45) OPRM1OPRK1MRGPRX2OPRD1
SCHEMBL20170734 0.75 OPRM1 (0.45) OPRM1OPRK1MRGPRX2OPRD1
SCHEMBL20170812 0.75 OPRM1 (0.45) OPRM1OPRK1MRGPRX2OPRD1
SCHEMBL20170795 0.75 OPRM1 (0.45) OPRM1OPRK1MRGPRX2OPRD1

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