SCHEMBL7361383

SCHEMBL7361383

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.63
CTSD P07339 1/20 0.63
CTSE P14091 1/20 0.63
PGA5 P0DJD9 1/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55

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
SCHEMBL7362226 0.90 ALDH1A1 (0.62) RENCTSDCTSECTSSCTSK
SCHEMBL9130011 0.89 CA2 (0.59) RENCTSDCTSEPGA5CTSS
SCHEMBL9130009 0.89 CA2 (0.59) RENCTSDCTSEPGA5CTSS
SCHEMBL8549092 0.83 CTSS (0.64) CTSSCTSK
SCHEMBL8549086 0.83 CTSS (0.64) CTSSCTSK
SCHEMBL7954670 0.82 SMN1; SMN2 (0.50) RENCTSDCTSECTSK
SCHEMBL10520400 0.82 REN (0.47) RENCTSDCTSEPGA5CTSS
SCHEMBL9706320 0.81 REN (0.80) RENCTSDCTSE
SCHEMBL7366909 0.81 SMN1; SMN2 (0.49) RENCTSDCTSECTSSCTSK
SCHEMBL10799756 0.80 KDM4E (0.51) RENCTSDCTSECTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602306-A1 Retroviral protease inhibitors AMERICAN CYANAMID COMPANY (US) 1994-06-22 EP disclosed
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 EP disclosed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 WO disclosed
WO-1992010509-A1 RENIN-INHIBITING PEPTIDES OF THE CYCLOHEXYLSTATIN TYPE, PROCESS FOR PRODUCING THE SAME AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-25 WO disclosed
EP-0403828-A1 Renin-inhibiting peptides, their preparation and their use in medicaments BAYER AG (DE) 1990-12-27 EP disclosed