SCHEMBL20170645

SCHEMBL20170645

COc1ccc2c3c1O[C@@H]1C(=O)CCC(CC2)C31

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
LMNA P02545 3/20 0.38
OPRD1 P41143 2/20 0.38
PDE4D Q08499 2/20 0.38
OPRK1 P41145 1/20 0.38
MRGPRX2 Q96LB1 1/20 0.38
PIN1 Q13526 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ADRA1A P35348 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33

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
SCHEMBL20170600 1.00 OPRM1 (0.39) OPRM1LMNAOPRD1PDE4DOPRK1
SCHEMBL20170697 0.84 HTR1A (0.34) OPRM1
SCHEMBL20170640 0.84 HTR1A (0.34) OPRM1
SCHEMBL20170836 0.83 L3MBTL1 (0.31)
SCHEMBL20170725 0.81 HTR1A (0.36)
SCHEMBL20170716 0.80 OPRD1 (0.34) OPRM1OPRD1OPRK1PIN1SIGMAR1
SCHEMBL20170670 0.80 OPRD1 (0.34) OPRM1OPRD1OPRK1PIN1SIGMAR1
SCHEMBL20170617 0.80 HTR1A (0.32) NQO2MTNR1AMTNR1B
SCHEMBL20170676 0.80 HTR1A (0.32) NQO2MTNR1AMTNR1B
SCHEMBL12826658 0.77 OPRM1 (0.51) OPRM1LMNAOPRD1PDE4DOPRK1

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