SCHEMBL6820366

SCHEMBL6820366

CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cccc2occc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.59
HCRTR2 O43614 10/20 0.59
KDM1A O60341 1/20 0.47
OPRD1 P41143 1/20 0.44
IL1B P01584 3/20 0.44
P2RX7 Q99572 2/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL1398772 0.93 HCRTR1 (0.51) HCRTR1HCRTR2KDM1AOPRD1IL1B
SCHEMBL1572370 0.80 HCRTR1 (0.42) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL2930345 0.79 HCRTR1 (0.49) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL2930343 0.79 HCRTR1 (0.49) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL1339577 0.79 HCRTR1 (0.49) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL28153227 0.78 KDM1A (0.50) HCRTR1HCRTR2KDM1AOPRD1IL1B
SCHEMBL6223223 0.78 KDM4E (0.64) HCRTR1HCRTR2KDM1AOPRD1FPR3
SCHEMBL6223221 0.78 KDM4E (0.64) HCRTR1HCRTR2KDM1AOPRD1FPR3
SCHEMBL983914 0.76 HCRTR1 (0.43) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL13947480 0.75 MMP13 (0.52) HCRTR1HCRTR2KDM1AOPRD1IL1B

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
WO-2004041807-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-21 WO disclosed