SCHEMBL18635949

SCHEMBL18635949

CC1Cc2ccccc2CN1C(=O)C(NC(=O)CN(C)C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
TACR1 P25103 1/20 0.35
XIAP P98170 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ELANE P08246 1/20 0.35
BIRC3 Q13489 1/20 0.35
BIRC2 Q13490 1/20 0.35
NAMPT P43490 1/20 0.35
ACE P12821 3/20 0.34
DRD2 P14416 3/20 0.34
MMP1 P03956 2/20 0.34
FCER2 P06734 2/20 0.34
MMP9 P14780 2/20 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
SCHEMBL18635844 0.89 OPRD1 (0.38) OPRM1OPRD1OPRK1TACR1XIAP
SCHEMBL18636117 0.82 ELANE (0.47) OPRM1OPRD1OPRK1ELANENAMPT
SCHEMBL19289877 0.78 BIRC2 (0.39) XIAPELANEBIRC3BIRC2
SCHEMBL18435537 0.78 BIRC2 (0.39) XIAPELANEBIRC3BIRC2
SCHEMBL18635996 0.76 XIAP (0.48) TACR1XIAPBIRC3BIRC2ACE
SCHEMBL18635814 0.76 XIAP (0.52) XIAPBIRC3BIRC2
SCHEMBL18635985 0.74 XIAP (0.45) XIAPBIRC3BIRC2
SCHEMBL18635839 0.74 XIAP (0.45) XIAPBIRC3BIRC2
SCHEMBL17031989 0.74 XIAP (0.39) XIAPELANEBIRC3BIRC2NAMPT
SCHEMBL17031988 0.73 XIAP (0.39) OPRM1OPRD1OPRK1XIAPELANE

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