SCHEMBL16404759

SCHEMBL16404759

C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)[C@H](CO)N=O)cc(CCCCC)cc1OC(=O)[C@@H](O)CO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.62
ACE2 Q9BYF1 3/20 0.61
BCHE P06276 1/20 0.57
CNR2 P34972 5/20 0.54
CNR1 P21554 3/20 0.54
TRPV1 Q8NER1 2/20 0.54
MLNR O43193 1/20 0.54
NR1I2 O75469 1/20 0.54
PDE9A O76083 1/20 0.54
ABCB11 O95342 1/20 0.54
LDHA P00338 1/20 0.54
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL7850810 0.93 OPRM1 (0.70) OPRM1ACE2BCHECNR2CNR1
SCHEMBL16905355 0.89 OPRM1 (0.65) OPRM1ACE2BCHECNR2CNR1
SCHEMBL7858207 0.88 BCHE (0.72) OPRM1BCHECNR2CNR1TRPV1
SCHEMBL7849313 0.83 OPRM1 (0.79) OPRM1ACE2BCHECNR2CNR1
SCHEMBL19198164 0.82 OPRM1 (0.70) OPRM1ACE2BCHECNR2CNR1
SCHEMBL7857365 0.81 OPRM1 (0.86) OPRM1ACE2BCHECNR2CNR1
SCHEMBL17299108 0.81 OPRM1 (0.86) OPRM1ACE2BCHECNR2CNR1
SCHEMBL19472315 0.81 OPRM1 (0.86) OPRM1ACE2BCHECNR2CNR1
SCHEMBL20201994 0.81 OPRM1 (0.69) OPRM1ACE2BCHECNR2CNR1
SCHEMBL19198725 0.81 OPRM1 (0.69) OPRM1ACE2BCHECNR2CNR1

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-2176208-B1 PRODRUGS OF CANNABIDIOL, COMPOSITIONS COMPRISING PRODRUGS OF CANNABIDIOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS INC (US) 2015-01-21 EP disclosed