SCHEMBL749563

SCHEMBL749563

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(Cc1ccc(Br)cc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.51
NPC1 O15118 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
MCL1 Q07820 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.46
XIAP P98170 2/20 0.46
VHL P40337 1/20 0.46
ACE P12821 1/20 0.46
CMA1 P23946 1/20 0.46

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
SCHEMBL750225 0.89 KMT2A (0.53) USP30NPC1MCL1LMNANPSR1
SCHEMBL2075346 0.88 VHL (0.49) NPC1OPRM1OPRD1OPRK1LMNA
SCHEMBL2075347 0.88 VHL (0.49) NPC1OPRM1OPRD1OPRK1LMNA
SCHEMBL2076012 0.86 VHL (0.46) USP30NPC1OPRM1OPRD1OPRK1
SCHEMBL2076014 0.86 VHL (0.46) USP30NPC1OPRM1OPRD1OPRK1
SCHEMBL2074630 0.84 VHL (0.53) OPRM1OPRD1OPRK1MCL1KMT2A
SCHEMBL2074631 0.84 VHL (0.53) OPRM1OPRD1OPRK1MCL1KMT2A
SCHEMBL7858495 0.82 VHL (0.51) MCL1KMT2AMEN1VHL
SCHEMBL3165695 0.82 CMA1 (0.63) KMT2AMEN1ALDH1A1ACECMA1
SCHEMBL21748404 0.82 CMA1 (0.63) KMT2AMEN1ALDH1A1ACECMA1

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed