SCHEMBL20170746

SCHEMBL20170746

COc1ccc2c3c1O[C@@H]1CCC[C@@H]4[C@H](C2)N(C)CCC341

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.67
OPRD1 P41143 12/20 0.67
OPRK1 P41145 9/20 0.67
MRGPRX2 Q96LB1 3/20 0.67
PDE4D Q08499 2/20 0.67
LMNA P02545 1/20 0.67
ADRB1 P08588 1/20 0.57
PDE3A Q14432 1/20 0.57

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
SCHEMBL11631074 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL21202024 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL11631069 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL21202077 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18569310 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL22058865 0.86 OPRD1 (0.56) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL20170867 0.86 OPRD1 (0.56) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL20852443 0.86 OPRM1 (0.55) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18457617 0.86 OPRM1 (0.55) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL20852457 0.86 OPRM1 (0.55) 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
EP-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed