SCHEMBL7428294

SCHEMBL7428294

CCCC[C@H](NC(=O)C(C)Nc1c(C(=O)OCc2ccccc2)ccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(CC(C)O)C(=O)NCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.47
▸ REN P00797 17/20 0.43
▸ CTSD P07339 1/20 0.40

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
SCHEMBL7286310 0.94 BACE1 (0.45) BACE1RENCTSD
SCHEMBL7287198 0.94 BACE1 (0.46) BACE1RENCTSD
SCHEMBL7434424 0.94 BACE1 (0.46) BACE1RENCTSD
SCHEMBL7295725 0.91 REN (0.48) BACE1REN
SCHEMBL7293592 0.90 REN (0.45) BACE1RENCTSD
SCHEMBL7287507 0.90 REN (0.45) BACE1RENCTSD
SCHEMBL7287567 0.87 REN (0.44) REN
SCHEMBL7286052 0.87 BACE1 (0.48) BACE1RENCTSD
SCHEMBL7427718 0.86 REN (0.44) BACE1REN
SCHEMBL7428494 0.86 BACE1 (0.45) BACE1RENCTSD

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-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 — — US claimed
EP-0264106-B1 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use BANYU PHARMA CO LTD (JP) 1994-03-16 — — EP disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 — — US disclosed
Send feedback