SCHEMBL5221990

SCHEMBL5221990

O=C(O)N1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49
OPRM1 P35372 7/20 0.49
OPRD1 P41143 6/20 0.49
OPRK1 P41145 6/20 0.49
SLC22A1 O15245 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
KCNA3 P22001 1/20 0.42

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
SCHEMBL5197854 0.92 OPRM1 (0.47) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL3015083 0.92 MEN1 (0.43) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL119410 0.84 KMT2A (0.49) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL4873237 0.82 HSD11B1 (0.43) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL3219970 0.79 FABP5 (0.49) KMT2ARAB9AOPRD1
SCHEMBL3471415 0.79 FABP5 (0.42) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL4870754 0.77 TET3 (0.50) KMT2AOPRM1
SCHEMBL3015079 0.77 KMT2A (0.42) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL22960725 0.77 KMT2A (0.42) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL30089214 0.77 KMT2A (0.42) MEN1KMT2ARAB9AOPRM1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO disclosed