SCHEMBL18635844

SCHEMBL18635844

CN(CC(=O)NC(C(=O)N1Cc2ccccc2CC1CO)C(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.38
OPRM1 P35372 9/20 0.38
OPRK1 P41145 9/20 0.38
MMP1 P03956 2/20 0.35
FCER2 P06734 2/20 0.35
MMP9 P14780 2/20 0.35
MMP3 P08254 1/20 0.35
BCL2 P10415 1/20 0.35
XIAP P98170 2/20 0.34
BIRC3 Q13489 1/20 0.34
BIRC2 Q13490 1/20 0.34
TACR1 P25103 1/20 0.34
NR1D1 P20393 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL18635949 0.89 OPRM1 (0.41) OPRD1OPRM1OPRK1MMP1FCER2
SCHEMBL17031988 0.84 XIAP (0.39) OPRD1OPRM1OPRK1MMP1FCER2
SCHEMBL18635686 0.84 ELANE (0.45) OPRD1OPRM1OPRK1ELANE
SCHEMBL18635688 0.84 ELANE (0.45) OPRD1OPRM1OPRK1ELANE
SCHEMBL17031987 0.84 ELANE (0.45) OPRD1OPRM1OPRK1ELANE
SCHEMBL17024615 0.81 OPRM1 (0.44) OPRD1OPRM1OPRK1BCL2
SCHEMBL17024720 0.81 OPRM1 (0.44) OPRD1OPRM1OPRK1BCL2
SCHEMBL17024517 0.77 XIAP (0.40) OPRD1OPRM1OPRK1MMP1FCER2
SCHEMBL17024515 0.77 XIAP (0.40) OPRD1OPRM1OPRK1MMP1FCER2
SCHEMBL9543837 0.75 ELANE (0.47) OPRD1OPRM1OPRK1ELANE

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-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed