SCHEMBL8749960

SCHEMBL8749960

CBc1ccc2c(c1)CCc1nc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]c1-2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
PTGES O14684 2/20 0.36
CHEK2 O96017 1/20 0.36
POLB P06746 1/20 0.36
UCHL1 P09936 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
USP30 Q70CQ3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SCN4A P35499 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL203624 0.87 UCHL1 (0.40) L3MBTL1HCRTR1HCRTR2PTGESUCHL1
SCHEMBL883263 0.87 UCHL1 (0.40) L3MBTL1HCRTR1HCRTR2PTGESUCHL1
SCHEMBL12406109 0.86 HCRTR1 (0.46) HCRTR1HCRTR2CHEK2USP30
SCHEMBL28743816 0.86 UCHL1 (0.44) L3MBTL1HCRTR1HCRTR2PTGESUCHL1
SCHEMBL14743583 0.85 GABRG2 (0.39) L3MBTL1PTGESUCHL1NPC1RAB9A
SCHEMBL14743582 0.85 GABRG2 (0.39) L3MBTL1PTGESUCHL1NPC1RAB9A
SCHEMBL570675 0.84 HCRTR1 (0.41) HCRTR1HCRTR2PTGESCHEK2
SCHEMBL18071565 0.84 HSD11B1 (0.38) HCRTR1HCRTR2PTGESCHEK2UCHL1
SCHEMBL570674 0.84 HCRTR1 (0.41) HCRTR1HCRTR2PTGESCHEK2
SCHEMBL570673 0.84 HCRTR1 (0.41) HCRTR1HCRTR2PTGESCHEK2

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
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed