SCHEMBL4772739

SCHEMBL4772739

CC(C)(C)OC(=O)N[C@]1(C)CN(CCc2ccccc2)C(=O)C12CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
DRD2 P14416 1/20 0.39
ATM Q13315 1/20 0.37
AKT1 P31749 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
PPIA P62937 1/20 0.36
BDKRB2 P30411 1/20 0.36

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
SCHEMBL4772742 1.00 SIGMAR1 (0.41) SIGMAR1OPRM1OPRD1CA12CA1
SCHEMBL82429 0.89 KMT2A (0.43) SIGMAR1OPRM1CA12CA1CA7
SCHEMBL740806 0.81 POLB (0.39) SIGMAR1OPRM1OPRD1CA12CA1
SCHEMBL739535 0.78 SIGMAR1 (0.47) SIGMAR1OPRM1OPRD1CA12CA1
SCHEMBL4775252 0.78 SIGMAR1 (0.47) SIGMAR1OPRM1OPRD1CA12CA1
SCHEMBL4772735 0.75 KMT2A (0.39) CTSSCTSKATMKMT2AMAPT
SCHEMBL740952 0.74 BDKRB2 (0.43) SIGMAR1OPRM1OPRD1KMT2APOLB
SCHEMBL739715 0.71 SIGMAR1 (0.44) SIGMAR1OPRM1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL13201400 0.71 OPRD1 (0.49) SIGMAR1OPRM1OPRD1CA12CA1
SCHEMBL81713 0.71 NPFFR1 (0.50) SIGMAR1OPRD1CA12CA1CA7

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-1930321-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP claimed