SCHEMBL20170774

SCHEMBL20170774

C=CCN(CC)C1Cc2ccc(OC)c3c2C2(C)C1CCC(O)C2O3

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.70
OPRK1 P41145 9/20 0.48
OPRD1 P41143 5/20 0.40
MRGPRX2 Q96LB1 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL16373075 0.74 OPRM1 (0.38) OPRM1OPRK1OPRD1
SCHEMBL20170638 0.73 OPRM1 (0.64) OPRM1OPRK1OPRD1MRGPRX2MAPT
SCHEMBL20170727 0.73 OPRM1 (0.64) OPRM1OPRK1OPRD1MRGPRX2MAPT
SCHEMBL20170724 0.72 OPRM1 (0.62) OPRM1OPRK1OPRD1MRGPRX2MAPT
SCHEMBL13431183 0.70 OPRM1 (0.52) OPRM1OPRK1OPRD1MAPT
SCHEMBL18473482 0.69 OPRM1 (0.34) OPRM1OPRK1OPRD1
SCHEMBL13013415 0.69 OPRM1 (0.53) OPRM1OPRK1OPRD1MRGPRX2MAPT
SCHEMBL14035025 0.69 OPRM1 (0.53) OPRM1OPRK1OPRD1MRGPRX2MAPT
SCHEMBL12646223 0.69 OPRM1 (0.59) OPRM1OPRK1OPRD1MRGPRX2
SCHEMBL12960900 0.69 OPRM1 (0.59) OPRM1OPRK1OPRD1MRGPRX2

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