SCHEMBL6776956

SCHEMBL6776956

CSCC[C@H](NC(=O)c1ccc(NCc2cccnc2)cc1-c1ccccc1)C(=O)O.CSCC[C@H](NC(=O)c1ccc(NCc2cccnc2)cc1-c1ccccc1)C(=O)OCCC(C)C

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.58
FNTB P49356 6/20 0.58
PGGT1B P53609 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL6777946 0.98 FNTA (0.54) FNTAFNTBTDP1
SCHEMBL7607890 0.98 FNTA (0.54) FNTAFNTBTDP1
SCHEMBL6777272 0.91 FNTA (0.67) FNTAFNTBPGGT1BTDP1
SCHEMBL6777267 0.91 FNTA (0.67) FNTAFNTBPGGT1BTDP1
SCHEMBL6772091 0.89 FNTA (0.64) FNTAFNTBPGGT1BTDP1
SCHEMBL6772096 0.89 FNTA (0.64) FNTAFNTBPGGT1BTDP1
SCHEMBL6777068 0.88 FNTA (0.52) FNTAFNTBTDP1
SCHEMBL6777061 0.88 FNTA (0.52) FNTAFNTBTDP1
SCHEMBL6782041 0.87 FNTA (0.59) FNTAFNTBPGGT1BTDP1
SCHEMBL6784122 0.86 FNTA (0.59) FNTAFNTBPGGT1BTDP1

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-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed