SCHEMBL18878794

SCHEMBL18878794

COc1ccc2c(c1O)[C@]13CCC[C@H](C2)C1CCC(=O)C3

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
OPRM1 P35372 7/20 0.46
OPRD1 P41143 5/20 0.46
OPRK1 P41145 4/20 0.46
MRGPRX2 Q96LB1 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL21081224 0.84 SIGMAR1 (0.47) GAAOPRM1OPRD1MRGPRX2KDM4E
SCHEMBL21173102 0.84 SIGMAR1 (0.47) GAAOPRM1OPRD1MRGPRX2KDM4E
SCHEMBL18994724 0.82 GAA (0.67) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL12960964 0.81 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL14371364 0.81 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL12717590 0.81 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL21148321 0.81 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL12717587 0.81 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL13301309 0.81 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL18457700 0.81 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2

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
US-9656961-B2 Methods for treating depressive symptoms ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-23 US disclosed