SCHEMBL8580792

SCHEMBL8580792

NCCCC[C@H](N)C(=O)c1cccnc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
AGER Q15109 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GSR P00390 1/20 0.42
CYP1A2 P05177 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP2 P08253 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
LTA4H P09960 1/20 0.39
GAA P10253 2/20 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
SCHEMBL8582274 1.00 KDM4E (0.51) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL8645671 0.83 DPP9 (0.42) GSRDPP8DPP9DPP7MMP2
SCHEMBL8645667 0.83 DPP9 (0.42) GSRDPP8DPP9DPP7MMP2
Lysine SCHEMBL28641263 0.76 LMNA (0.59) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL9315974 0.76 GSR (0.48) GSRDPP8DPP9DPP7MMP2
SCHEMBL9315967 0.76 GSR (0.48) GSRDPP8DPP9DPP7MMP2
SCHEMBL27475290 0.74 GSK3B (0.50) ALDH1A1L3MBTL1GSRDPP8DPP9
SCHEMBL31411149 0.74 GSK3B (0.50) ALDH1A1L3MBTL1GSRDPP8DPP9
SCHEMBL29387120 0.73 AKR1C3 (0.46) MAPTGSRDPP8DPP9DPP7
Lysine SCHEMBL5907916 0.72 GSR (0.57) GSRKMT2ATDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296468-A Antagonists of gonadotropin-releasing hormone; a decapeptide including an unnatural amino acid having a 3,5-diamino-1,2,4-triazole or a cyanoguanidine group; inhibits or promotes secretion of steroidal hormones; controls ovulation THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1994-03-22 US claimed
US-5744450-A DECAPEPTIDE HORMONE INHIBITOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1998-04-28 US disclosed
US-5710249-A Amino acids and processes for making peptides using same THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1998-01-20 US disclosed
US-5580957-A GONADOTROPIN INHIBITOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-12-03 US disclosed
US-5565574-A BIOSYNTHESIS OF SYNTHETIC PEPTIDES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-10-15 US disclosed
US-5352796-A Chemical intermediates for gonadotropin-releasing hormone THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1994-10-04 US disclosed
US-5296468-A Antagonists of gonadotropin-releasing hormone; a decapeptide including an unnatural amino acid having a 3,5-diamino-1,2,4-triazole or a cyanoguanidine group; inhibits or promotes secretion of steroidal hormones; controls ovulation THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1994-03-22 US disclosed