SCHEMBL845070

SCHEMBL845070

CCc1ccncc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cnccc3CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
PABPC1 P11940 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 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
SCHEMBL845431 0.95 TRPV1 (0.43) TRPV1PABPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL845131 0.86 PABPC1 (0.49) TRPV1PABPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL845007 0.86 PABPC1 (0.49) TRPV1PABPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL845015 0.83 ALDH1A1 (0.42) PABPC1ALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL13272394 0.82 MEN1 (0.47) TRPV1PABPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL845935 0.82 PABPC1 (0.44) TRPV1PABPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL844934 0.81 RHOC (0.51) TRPV1ALDH1A1CYP2C9CYP2C19RHOC
SCHEMBL845405 0.81 TRPV1 (0.46) TRPV1CYP2C9CYP2C19RHOCRHOA
SCHEMBL845333 0.81 PABPC1 (0.48) PABPC1ALDH1A1CYP2C9CYP2C19RHOC
SCHEMBL845297 0.80 RHOC (0.48) TRPV1ALDH1A1CYP2C9CYP2C19RHOC

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
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