SCHEMBL873575

SCHEMBL873575

NCCCCC(N)C(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.45
DPP8 Q6V1X1 2/20 0.42
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
NTMT1 Q9BV86 1/20 0.41
ACE P12821 5/20 0.41
ITGB1 P05556 4/20 0.40
ITGA4 P13612 4/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL845158 0.93 F2 (0.49) F2DPP8DPP4DPP7NTMT1
SCHEMBL846094 0.92 F2 (0.44) F2NTMT1ACEITGB1ITGA4
SCHEMBL845151 0.84 ALDH1A1 (0.48) ITGB1ITGA4ALDH1A1KDM1ARCOR1
SCHEMBL845523 0.81 POLB (0.59) ALDH1A1KDM1ARCOR1CYP2C9POLB
SCHEMBL15116912 0.81 ALDH1A1 (0.56) ITGB1ITGA4ALDH1A1KDM1ARCOR1
SCHEMBL845226 0.81 ALDH1A1 (0.56) ITGB1ITGA4ALDH1A1KDM1ARCOR1
SCHEMBL845111 0.81 ALDH1A1 (0.56) ITGB1ITGA4ALDH1A1KDM1ARCOR1
SCHEMBL845205 0.81 ALDH1A1 (0.56) ITGB1ITGA4ALDH1A1KDM1ARCOR1
SCHEMBL13272444 0.81 ALDH1A1 (0.56) ITGB1ITGA4ALDH1A1KDM1ARCOR1
SCHEMBL1030175 0.81 ALDH1A1 (0.56) ITGB1ITGA4ALDH1A1KDM1ARCOR1

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 1 patent. 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