SCHEMBL10201134

SCHEMBL10201134

CC(C)(C)OC(=O)N1C2C[C@@H]2C[C@H]1c1ncc(-c2ccc(Br)cc2F)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.37
HPGDS O60760 3/20 0.36
PRCP P42785 2/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
SSTR3 P32745 1/20 0.32
CDK1 P06493 1/20 0.32
CDK9 P50750 3/20 0.32
GPR119 Q8TDV5 3/20 0.32
CCNT1 O60563 2/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL10182462 1.00 USP30 (0.37) USP30HPGDSPRCPHCRTR1HCRTR2
SCHEMBL12107333 0.85 HPGDS (0.43) HPGDSPRCPHCRTR1HCRTR2SSTR3
SCHEMBL14816986 0.85 HPGDS (0.43) HPGDSPRCPHCRTR1HCRTR2SSTR3
SCHEMBL824987 0.85 HPGDS (0.43) HPGDSPRCPHCRTR1HCRTR2SSTR3
SCHEMBL1293323 0.85 HPGDS (0.43) HPGDSPRCPHCRTR1HCRTR2SSTR3
SCHEMBL855831 0.85 HPGDS (0.43) HPGDSPRCPHCRTR1HCRTR2SSTR3
SCHEMBL1293325 0.85 HPGDS (0.43) HPGDSPRCPHCRTR1HCRTR2SSTR3
SCHEMBL12686992 0.85 USP30 (0.40) USP30HPGDSPRCPHCRTR1HCRTR2
SCHEMBL10182323 0.84 USP30 (0.39) USP30HPGDSHCRTR1HCRTR2AAK1
SCHEMBL1294320 0.84 HPGDS (0.40) USP30HPGDSPRCPHCRTR1HCRTR2

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-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed