Sugi Predict

Sugi Predict / Compounds / SCHEMBL7375700

SCHEMBL7375700

SCHEMBL7375700

N[C@H](C=CC(CCc1ccccc1)C(=O)[C@@H](N)Cc1ccc(C(=O)C2CNCCO2)cc1)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 8/20 0.33
▸ ANPEP P15144 8/20 0.33
▸ ERAP2 Q6P179 6/20 0.33
▸ CTSC P53634 1/20 0.33
▸ LAP3 P28838 6/20 0.32
▸ ENPEP Q07075 1/20 0.32
▸ SSTR4 P31391 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ GHSR Q92847 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
SCHEMBL7397874 0.85 CTSC (0.32) CTSCSSTR4CTSLGHSR
SCHEMBL7356049 0.84 CTSC (0.34) CTSCSSTR4GHSR
SCHEMBL27380018 0.80 SLC1A1 (0.41) ERAP1ANPEPERAP2CTSCLAP3
SCHEMBL7411955 0.80 SLC1A1 (0.41) ERAP1ANPEPERAP2CTSCLAP3
SCHEMBL7360267 0.80 CTSL (0.40) CTSCCTSL
SCHEMBL7379883 0.78 MC4R (0.38) ERAP1ANPEPERAP2CTSCSSTR4
SCHEMBL7350474 0.76 CTSL (0.44) CTSCCTSL
SCHEMBL8691960 0.76 CTSC (0.33) CTSCSSTR4GHSR
SCHEMBL7354041 0.76 CTSL (0.43) CTSCCTSL
SCHEMBL7414186 0.76 CTSC (0.33) CTSCSSTR4GHSR

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 3 patents. 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
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 — — EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 — — WO disclosed