SCHEMBL7299478

SCHEMBL7299478

COCCOCOC(C(O)CNCN)C(CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
REN P00797 14/20 0.38
AAK1 Q2M2I8 1/20 0.36
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
CACNA1B Q00975 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL10592277 1.00 CTSS (0.41) CTSSCTSKRENAAK1CTSD
SCHEMBL7281024 0.89 CTSS (0.40) CTSSCTSKRENAAK1CTSD
SCHEMBL7280909 0.89 CTSS (0.40) CTSSCTSKRENAAK1CTSD
SCHEMBL7299465 0.86 CTSS (0.41) CTSSCTSKRENAAK1CTSD
SCHEMBL7281111 0.85 CTSK (0.48) CTSSCTSKRENCTSDCTSE
SCHEMBL7293402 0.84 CTSS (0.39) CTSSCTSKRENAAK1CTSD
SCHEMBL7280391 0.84 CTSS (0.39) CTSSCTSKRENAAK1CTSD
SCHEMBL7280715 0.83 REN (0.46) REN
SCHEMBL7294880 0.82 CTSS (0.44) CTSSCTSKRENAAK1CTSD
SCHEMBL7298823 0.81 CTSS (0.36) CTSSCTSKRENCTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed