SCHEMBL845461

SCHEMBL845461

CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccnc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.44
FAP Q12884 1/20 0.44
VNN1 O95497 1/20 0.42
KCNH2 Q12809 1/20 0.42
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CYP3A4 P08684 1/20 0.42
ROCK2 O75116 1/20 0.42
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C9 P11712 1/20 0.41
PIK3CD O00329 1/20 0.40
ELANE P08246 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
SCHEMBL845297 0.92 RHOC (0.48) PREPFAPVNN1RHOCRHOA
SCHEMBL872436 0.87 DPP4 (0.43) PREPFAPVNN1RHOCRHOA
SCHEMBL844960 0.87 DPP4 (0.43) PREPFAPVNN1RHOCRHOA
SCHEMBL845234 0.87 RHOC (0.43) PREPFAPVNN1RHOCRHOA
SCHEMBL845231 0.86 HCRTR1 (0.43) PREPFAPVNN1RHOCRHOA
SCHEMBL844890 0.85 KCNH2 (0.51) KCNH2CYP3A4CYP2C19LMNAPOLB
SCHEMBL845475 0.85 ROCK2 (0.44) PREPFAPVNN1RHOCRHOA
SCHEMBL10119294 0.84 ITGB3 (0.41) PREPFAPVNN1RHOCRHOA
SCHEMBL845599 0.81 RHOC (0.43) PREPKCNH2RHOCRHOAROCK2
SCHEMBL845338 0.81 RHOC (0.48) RHOCRHOAROCK2CYP2C19POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed