SCHEMBL20054535

SCHEMBL20054535

CC(C)(C)OC(=O)NC(c1ncc(-c2ccc(-c3cc4ccc(Br)cc4o3)cc2)[nH]1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.40
NR1I2 O75469 1/20 0.39
AAK1 Q2M2I8 6/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
APP P05067 1/20 0.34
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL15116836 1.00 SSTR3 (0.40) SSTR3NR1I2AAK1KDM4EGLA
SCHEMBL15116835 0.93 NR1I2 (0.43) SSTR3NR1I2AAK1KDM4EGLA
SCHEMBL15114363 0.89 NR1I2 (0.42) SSTR3NR1I2AAK1KDM4EGLA
SCHEMBL15116761 0.85 SSTR3 (0.42) SSTR3AAK1HDAC6
SCHEMBL15116590 0.85 PRMT5 (0.38) SSTR3NR1I2AAK1KDM4EGLA
SCHEMBL20054513 0.85 PRMT5 (0.38) SSTR3NR1I2AAK1KDM4EGLA
SCHEMBL16409161 0.85 SSTR3 (0.48) SSTR3NR1I2AAK1MAPT
SCHEMBL15116823 0.82 SSTR3 (0.38) SSTR3NR1I2AAK1KDM4EGLA
SCHEMBL20221549 0.82 SSTR3 (0.38) SSTR3NR1I2AAK1KDM4EGLA
SCHEMBL20054472 0.82 SSTR3 (0.38) SSTR3NR1I2AAK1KDM4EGLA

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-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed