SCHEMBL18473436

SCHEMBL18473436

COC1=CCC2[C@@H]3Cc4ccc(OC)c5c4C2(CCN3C)[C@@H]1O5

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 13/20 0.68
▸ OPRD1 P41143 11/20 0.68
▸ OPRK1 P41145 8/20 0.68
▸ MRGPRX2 Q96LB1 3/20 0.68
▸ PDE4D Q08499 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ ADRB1 P08588 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL12006856 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL16731962 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18458103 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL10079544 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL16731963 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18458105 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL12006829 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL553979 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18720200 0.91 OPRM1 (0.62) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL20077640 0.91 OPRM1 (0.64) OPRM1OPRD1OPRK1MRGPRX2PDE4D

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
US-9562014-B2 (+)-morphinans as antagonists of toll-like receptor 9 and therapeutic uses thereof MALLINCKRODT LLC (US) 2017-02-07 — — US disclosed
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