SCHEMBL845699

SCHEMBL845699

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ncccc3-c3ccc(Cl)cc3)cc2)cc1)[C@@H]1CCCN1C(=O)c1ncccc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.48
RHOA P61586 1/20 0.48
DGAT1 O75907 5/20 0.47
F10 P00742 1/20 0.43
EP300 Q09472 6/20 0.42
CREBBP Q92793 6/20 0.42
HCRTR1 O43613 1/20 0.42
F2 P00734 1/20 0.41
HTT P42858 1/20 0.40
MLNR O43193 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10119346 0.96 RHOC (0.45) RHOCRHOADGAT1F10EP300
SCHEMBL845841 0.92 TRPV1 (0.45) DGAT1HCRTR1HTT
SCHEMBL13272509 0.92 TRPV1 (0.45) DGAT1HCRTR1HTT
SCHEMBL845114 0.90 EP300 (0.46) RHOCRHOADGAT1F10EP300
SCHEMBL845704 0.88 TRPV1 (0.48) DGAT1HCRTR1HTT
SCHEMBL10119343 0.87 ALDH1A1 (0.44) DGAT1F2L3MBTL1
SCHEMBL10119342 0.86 ALDH1A1 (0.45) RHOCRHOADGAT1EP300CREBBP
SCHEMBL845640 0.85 ALDH1A1 (0.49) HCRTR1
SCHEMBL845442 0.84 CYP2C9 (0.43) RHOCRHOAHTT
SCHEMBL10119326 0.83 EP300 (0.41) RHOCRHOADGAT1EP300CREBBP

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