SCHEMBL7290631

SCHEMBL7290631

NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC1=CCC(=S(=O)=O)C=C1)NC(=O)N1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.34
▸ CTSB P07858 4/20 0.34
▸ CTSS P25774 8/20 0.34
▸ TACR2 P21452 2/20 0.30
▸ PSMB11 A5LHX3 1/20 0.30
▸ PSMA7 O14818 1/20 0.30
▸ PSMB1 P20618 1/20 0.30
▸ PSMA1 P25786 1/20 0.30
▸ PSMA2 P25787 1/20 0.30
▸ PSMA3 P25788 1/20 0.30
▸ PSMA4 P25789 1/20 0.30
▸ PSMB8 P28062 1/20 0.30
▸ PSMB9 P28065 1/20 0.30
▸ PSMA5 P28066 1/20 0.30
▸ PSMB4 P28070 1/20 0.30
▸ PSMB6 P28072 1/20 0.30
▸ PSMB5 P28074 1/20 0.30
▸ PSMB10 P40306 1/20 0.30
▸ PSMB3 P49720 1/20 0.30
▸ PSMB2 P49721 1/20 0.30

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
SCHEMBL7908157 0.82 CTSL (0.39) CTSLCTSBCTSSTACR2PSMB11
SCHEMBL26019659 0.82 CTSL (0.39) CTSLCTSBCTSSTACR2PSMB11
SCHEMBL7441871 0.81 CTSS (0.53) CTSLCTSBCTSSTACR2PSMB11
SCHEMBL9417266 0.81 CTSS (0.53) CTSLCTSBCTSSTACR2PSMB11
SCHEMBL9556415 0.77 POLB (0.42) CTSLCTSBCTSS
SCHEMBL22387822 0.77 CTSL (0.39) CTSLCTSBCTSSTACR2PSMB11
SCHEMBL1562598 0.74 POLB (0.44) CTSLCTSBCTSSCTSKCTSH
SCHEMBL1562599 0.74 POLB (0.44) CTSLCTSBCTSSCTSKCTSH
SCHEMBL7288070 0.74 POLB (0.44) CTSS
SCHEMBL10555105 0.73 CTSL (0.56) CTSLCTSBCTSSTACR2PSMB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 — — EP disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 — — WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 — — EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 — — EP disclosed
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