SCHEMBL7322926

SCHEMBL7322926

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(CCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.49
▸ MMP3 P08254 3/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ CTSL P07711 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ MMP13 P45452 1/20 0.44

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
SCHEMBL7326854 0.88 MME (0.44) MME
SCHEMBL8249923 0.86 MME (0.59) MMEMMP3
SCHEMBL5870219 0.86 MME (0.59) MMEMMP3
SCHEMBL11206129 0.84 MME (0.63) MMEMMP3MMP2MMP12MMP13
SCHEMBL9617696 0.83 LTA4H (0.55) MME
SCHEMBL9617697 0.83 LTA4H (0.55) MME
SCHEMBL11011952 0.83 MME (0.53) MMEMMP3MMP2MMP1MMP12
SCHEMBL27691470 0.83 LTA4H (0.55) MME
SCHEMBL9830052 0.82 PSMB5 (0.49) MMECTSL
SCHEMBL9830035 0.82 PSMB5 (0.49) MMECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 — — US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 — — US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 — — EP disclosed
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