SCHEMBL845097

SCHEMBL845097

CC(=O)N1CC=C[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C=CCN3C(C)=O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
RAD51 Q06609 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL13272184 0.89 PDE3B (0.34) NAMPTPDE3BPDE3ANPC1RAB9A
SCHEMBL845328 0.87 NAMPT (0.35) NAMPTPDE3BPDE3ANPC1RAB9A
SCHEMBL845214 0.87 ITGB1 (0.39) NAMPTPDE3BPDE3ANPC1RAB9A
SCHEMBL845098 0.85 ITGB1 (0.43) PDE3BPDE3ARAB9AKMT2AMAPT
SCHEMBL845331 0.83 PTPN1 (0.41) NAMPTRAB9AMEN1KMT2AMAPT
SCHEMBL845086 0.82 EPHX2 (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL844741 0.82 ITGB1 (0.39) NAMPTPDE3BPDE3ARAB9AMEN1
SCHEMBL845351 0.82 ITGB1 (0.41) NAMPTKMT2AMAPTITGB1ITGA4
SCHEMBL13272437 0.80 ITGB1 (0.32) ITGB1ITGA4
SCHEMBL845099 0.79 ITGB1 (0.44) PDE3BPDE3AKMT2AMAPTMAPK1

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