SCHEMBL9502249

SCHEMBL9502249

NC(CC(=O)O)C(N)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
METAP2 P50579 3/20 0.46
METAP1 P53582 2/20 0.46
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
DPP4 P27487 2/20 0.41
ALOX5 P09917 1/20 0.40
MMP2 P08253 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
REN P00797 1/20 0.40
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 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
SCHEMBL10659068 1.00 ALDH1A1 (0.46) ALDH1A1METAP2METAP1SLC1A3SLC1A2
SCHEMBL7275103 1.00 ALDH1A1 (0.46) ALDH1A1METAP2METAP1SLC1A3SLC1A2
SCHEMBL7151431 0.85 REN (0.47) ALDH1A1METAP2METAP1SLC1A3SLC1A2
SCHEMBL21690082 0.85 REN (0.47) ALDH1A1METAP2METAP1SLC1A3SLC1A2
SCHEMBL272993 0.85 REN (0.47) ALDH1A1METAP2METAP1SLC1A3SLC1A2
SCHEMBL3998377 0.84 ALDH1A1 (0.42) ALDH1A1METAP2METAP1SLC1A3SLC1A2
SCHEMBL3995997 0.84 ALDH1A1 (0.42) ALDH1A1METAP2METAP1SLC1A3SLC1A2
SCHEMBL4001477 0.84 ALDH1A1 (0.42) ALDH1A1METAP2METAP1SLC1A3SLC1A2
SCHEMBL289091 0.82 DPP4 (0.53) ALDH1A1METAP2METAP1SLC1A3SLC1A2
SCHEMBL27999732 0.82 DPP4 (0.53) ALDH1A1METAP2METAP1SLC1A3SLC1A2

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
EP-0161588-A2 Diamino acid derivatives MERCK PATENT GmbH (DE) 1985-11-21 EP claimed
EP-0198271-B1 PEPTIDES MERCK PATENT GmbH (DE) 1993-06-09 EP disclosed
US-5215966-A For treatment of hypertension, hyperaldosteronism and cardiac insufficiency MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
EP-0161588-B1 DIAMINO ACID DERIVATIVES MERCK PATENT GmbH (DE) 1990-08-16 EP disclosed
US-4829053-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-09 US disclosed
US-4755592-A Statine-containing peptides useful in medicaments MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-07-05 US disclosed
US-4721776-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-01-26 US disclosed