SCHEMBL9068699

SCHEMBL9068699

N=C(N)NCCC[C@H](NC(=O)CNC(=O)C(CS)Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.53
ACE P12821 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
ECE1 P42892 1/20 0.53
BLM P54132 1/20 0.53
NPEPPS P55786 1/20 0.53
KMT2A Q03164 1/20 0.53
FNTA P49354 3/20 0.50
FNTB P49356 3/20 0.50
PGGT1B P53609 3/20 0.50

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
SCHEMBL7319942 0.91 MME (0.61) MMEFNTAFNTBPGGT1B
SCHEMBL29575686 0.87 OPRD1 (0.49) FNTAFNTBPGGT1B
SCHEMBL9069637 0.86 OPRK1 (0.52) FNTAFNTBPGGT1B
SCHEMBL29630731 0.85 OPRD1 (0.51) FNTAFNTBPGGT1B
SCHEMBL29630760 0.85 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL29630522 0.84 OPRD1 (0.49)
SCHEMBL30692724 0.83 OPRD1 (0.53)
SCHEMBL7302272 0.83 FOLH1 (0.50)
SCHEMBL30264901 0.83 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL31122216 0.82 OPRD1 (0.49)

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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed