SCHEMBL20170618

SCHEMBL20170618

CN[C@H]1Cc2ccc(OC)c3c2C2(C)C1CC=C(OC)[C@H]2O3

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.48
MRGPRX2 Q96LB1 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRK1 P41145 9/20 0.40
OPRD1 P41143 3/20 0.38
LMNA P02545 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL16509946 0.88 OPRM1 (0.46) OPRM1MRGPRX2L3MBTL1OPRK1OPRD1
SCHEMBL20170623 0.80 OPRM1 (0.45) OPRM1MRGPRX2L3MBTL1OPRK1OPRD1
SCHEMBL20170734 0.76 OPRM1 (0.45) OPRM1MRGPRX2OPRK1OPRD1LMNA
SCHEMBL20170795 0.76 OPRM1 (0.45) OPRM1MRGPRX2OPRK1OPRD1LMNA
SCHEMBL20170812 0.76 OPRM1 (0.45) OPRM1MRGPRX2OPRK1OPRD1LMNA
SCHEMBL20170736 0.76 OPRM1 (0.45) OPRM1MRGPRX2OPRK1OPRD1LMNA
SCHEMBL16509932 0.76 OPRM1 (0.50) OPRM1MRGPRX2L3MBTL1OPRK1OPRD1
SCHEMBL15685095 0.74 OPRM1 (0.49) OPRM1L3MBTL1OPRK1OPRD1
SCHEMBL12836599 0.72 OPRM1 (0.47) OPRM1MRGPRX2L3MBTL1OPRK1OPRD1
SCHEMBL12836844 0.72 OPRM1 (0.47) OPRM1MRGPRX2L3MBTL1OPRK1OPRD1

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