SCHEMBL11545110

SCHEMBL11545110

O=C(O)[C@]1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
KCNH2 Q12809 7/20 0.47
OPRK1 P41145 6/20 0.47
OPRM1 P35372 4/20 0.47
OPRD1 P41143 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LTA4H P09960 1/20 0.45
LMNA P02545 1/20 0.45
CHRM3 P20309 1/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL11545113 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL30057981 0.84 GRM6 (0.55) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL3155487 0.83 OPRM1 (0.55) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL2841484 0.82 CHRM2 (0.49) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL2841486 0.82 CHRM2 (0.49) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL4477292 0.82 CHRM2 (0.49) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL14086605 0.81 CHRM2 (0.45) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL1513400 0.81 DRD2 (0.62) OPRK1OPRM1OPRD1DRD2DRD4
SCHEMBL4484205 0.79 DRD2 (0.47) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL4479687 0.79 CHRM2 (0.46) CHRM2CHRM4CHRM5KCNH2OPRK1

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-4179567-A 2-Aryltropane compounds STERLING DRUG INC. (US) 1979-12-18 US disclosed