SCHEMBL20170760

SCHEMBL20170760

C=CCN[C@H]1Cc2ccc(OC)c3c2C2(C)[C@@H]1CCC1(OCCO1)[C@H]2O3

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.38
HTR1A P08908 7/20 0.37
OPRK1 P41145 7/20 0.36
OPRD1 P41143 3/20 0.36
OGFRL1 Q5TC84 1/20 0.36
HCRTR1 O43613 1/20 0.34
MRGPRX2 Q96LB1 2/20 0.34
LMNA P02545 1/20 0.34
PDE4D Q08499 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
SCHEMBL20170685 0.81 OPRM1 (0.41) OPRM1HTR1AOPRK1OPRD1MRGPRX2
SCHEMBL20170729 0.81 OPRM1 (0.41) OPRM1HTR1AOPRK1OPRD1MRGPRX2
SCHEMBL20170683 0.81 OPRM1 (0.41) OPRM1HTR1AOPRK1OPRD1MRGPRX2
SCHEMBL20170865 0.79 OPRM1 (0.49) OPRM1HTR1AOPRK1OPRD1MRGPRX2
SCHEMBL20170730 0.79 OPRM1 (0.49) OPRM1HTR1AOPRK1OPRD1MRGPRX2
SCHEMBL20170830 0.79 OPRM1 (0.49) OPRM1HTR1AOPRK1OPRD1MRGPRX2
SCHEMBL18457820 0.73 OPRM1 (0.49) OPRM1OPRK1OPRD1MRGPRX2LMNA
SCHEMBL17284780 0.73 OPRM1 (0.49) OPRM1OPRK1OPRD1MRGPRX2LMNA
SCHEMBL12960903 0.73 OPRM1 (0.49) OPRM1OPRK1OPRD1MRGPRX2LMNA
SCHEMBL18457818 0.73 OPRM1 (0.49) OPRM1OPRK1OPRD1MRGPRX2LMNA

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