SCHEMBL844960

SCHEMBL844960

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
PREP P48147 1/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
VNN1 O95497 1/20 0.42
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ROCK2 O75116 1/20 0.42
PABPC1 P11940 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL872436 1.00 DPP4 (0.43) DPP4PREPFAPDPP8DPP9
SCHEMBL845297 0.92 RHOC (0.48) DPP4PREPFAPDPP8DPP9
SCHEMBL845231 0.91 HCRTR1 (0.43) DPP4PREPFAPDPP8DPP9
SCHEMBL845475 0.90 ROCK2 (0.44) DPP4PREPFAPDPP8DPP9
SCHEMBL845234 0.89 RHOC (0.43) DPP4PREPFAPDPP8DPP9
SCHEMBL845461 0.87 PREP (0.44) PREPFAPVNN1RHOCRHOA
SCHEMBL845251 0.85 PABPC1 (0.50) KDM4ELMNAPABPC1ALDH1A1MEN1
SCHEMBL10119294 0.84 ITGB3 (0.41) DPP4PREPFAPDPP8DPP9
SCHEMBL845534 0.82 HRH3 (0.43) VNN1TRPV1KDM4ELMNAALDH1A1
SCHEMBL845338 0.81 RHOC (0.48) RHOCRHOAROCK2PABPC1ALDH1A1

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