SCHEMBL7327057

SCHEMBL7327057

CC[C@H](C)[C@H](N)C(=O)N(C(=O)c1ccccn1)C(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.48
▸ CTSD P07339 1/20 0.42
▸ CTSE P14091 1/20 0.42

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
SCHEMBL7318270 0.94 REN (0.51) RENCTSDCTSE
SCHEMBL10772344 0.91 REN (0.54) REN
SCHEMBL10579981 0.84 REN (0.56) REN
SCHEMBL10579119 0.84 REN (0.56) REN
SCHEMBL9694627 0.82 REN (0.54) REN
SCHEMBL9694155 0.82 REN (0.54) REN
SCHEMBL9694227 0.82 REN (0.54) REN
SCHEMBL7328163 0.81 REN (0.59) REN
SCHEMBL9876108 0.78 REN (0.56) REN
SCHEMBL9876104 0.78 REN (0.56) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237202-A2 Novel renin inhibiting peptides having a dihydroxyethylene isostere transition state insert THE UPJOHN COMPANY (US) 1987-09-16 — — EP claimed
WO-1987005302-A1 NOVEL RENIN-INHIBITING PEPTIDES HAVING A DIHYDROXYETHYLENE ISOSTERE TRANSITION STATE INSERT THE UPJOHN COMPANY (US) 1987-09-11 — — WO claimed
Send feedback