SCHEMBL8696255

SCHEMBL8696255

C[C@H](Nc1cc(C(=O)C2CNCCO2)c2ccccc2c1)C(=O)N[C@@H](CCc1ccccc1)CCS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.37
REN P00797 10/20 0.35
CTSB P07858 3/20 0.35
CAPN1 P07384 2/20 0.35
PSMB5 P28074 2/20 0.34
PSMB8 P28062 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7413216 0.85 CTSK (0.42) CTSBCTSLCTSS
SCHEMBL7358329 0.82 CTSK (0.46) CTSBCTSLCTSS
SCHEMBL8690341 0.75 SSTR4 (0.39) SSTR4CTSBPSMB5CTSLALDH1A1
SCHEMBL8696240 0.66 MMP2 (0.42) CTSBCAPN1CTSLCTSSALDH1A1
SCHEMBL8696245 0.66 MMP2 (0.42) CTSBCAPN1CTSLCTSSALDH1A1
SCHEMBL8696250 0.66 MMP2 (0.42) CTSBCAPN1CTSLCTSSALDH1A1
SCHEMBL7412508 0.62 CTSB (0.55) CTSBCTSLCTSS
SCHEMBL7412506 0.62 CTSB (0.55) CTSBCTSLCTSS
SCHEMBL8156320 0.62 REN (0.42) SSTR4RENCTSBCTSLCTSS
SCHEMBL7411057 0.62 CTSC (0.37) SSTR4KDM4E

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
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed