SCHEMBL27770244

SCHEMBL27770244

CC(C)(C)C(=O)ON1CC(C(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
HSD11B1 P28845 1/20 0.40
SLC18A3 Q16572 2/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
CCR5 P51681 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL27991279 0.87 MGLL (0.51) MGLLHSD11B1SLC18A3KMT2APOLB
SCHEMBL27597017 0.86 ELANE (0.46) MGLLHSD11B1KMT2AMEN1LMNA
SCHEMBL28017484 0.85 MEN1 (0.43) MGLLSLC18A3KMT2AMEN1MAPK1
SCHEMBL28024239 0.82 BRD4 (0.42) KMT2ARAB9ANPC1RECQLSMN1; SMN2
SCHEMBL4192895 0.77 RORC (0.48) MGLLHSD11B1KMT2APOLBMEN1
SCHEMBL27958057 0.76 HTT (0.43) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL27629058 0.75 NAMPT (0.41) SLC18A3KMT2APOLBMAPT
SCHEMBL4190126 0.75 MGLL (0.51) MGLLHSD11B1SLC18A3KMT2APOLB
SCHEMBL27758338 0.73 HSD11B1 (0.57) MGLLHSD11B1KMT2APOLBSMN1; SMN2
SCHEMBL3604589 0.72 KMT2A (0.54) MGLLHSD11B1SLC18A3KMT2AMEN1

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
CN-101454328-A Novel mch receptor antagonists LILLY CO ELI (US) 2009-06-10 CN disclosed