SCHEMBL20170682

SCHEMBL20170682

C=C1CCC2CCc3ccc(OC)c4c3C2(CC)C1O4

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.39
OPRD1 P41143 8/20 0.37
OPRK1 P41145 6/20 0.37
LMNA P02545 2/20 0.37
MRGPRX2 Q96LB1 2/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
BLM P54132 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14679550 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1LMNAMRGPRX2
SCHEMBL14679543 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1LMNAMRGPRX2
SCHEMBL20170860 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1LMNAMRGPRX2
SCHEMBL14679553 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1LMNAMRGPRX2
SCHEMBL20170722 0.82 OPRM1 (0.47) OPRM1OPRD1OPRK1LMNAMRGPRX2
SCHEMBL16084742 0.75 OPRM1 (0.47) OPRM1OPRD1OPRK1LMNAMRGPRX2
SCHEMBL22559866 0.71 OPRM1 (0.47) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL14570853 0.71 OPRM1 (0.37) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL20170809 0.70 OPRM1 (0.64) OPRM1OPRD1OPRK1LMNAMRGPRX2
SCHEMBL20170829 0.69 OPRD1 (0.46) OPRM1OPRD1OPRK1SIGMAR1

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