SCHEMBL8085216

SCHEMBL8085216

CC(=O)O[C@H]1[C@@H](C(=O)[C@H](Cc2ccccc2)NC(=O)C2CNCCO2)C(=O)N1N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.41
SSTR4 P31391 2/20 0.41
CTSC P53634 10/20 0.40
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
MLNR O43193 1/20 0.36
KCNH2 Q12809 1/20 0.36
ACE P12821 1/20 0.36
CAPN1 P07384 1/20 0.35

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
SCHEMBL8086169 0.81 GNPAT (0.44) ACE
SCHEMBL7443139 0.78 CTSL (0.48)
SCHEMBL8089807 0.77 CTSK (0.54)
SCHEMBL7451264 0.77 FAAH (0.43)
SCHEMBL7441597 0.77 CTSK (0.54)
SCHEMBL7360271 0.77 CTSC (0.53) GHSRSSTR4CTSCITGB1ITGA4
SCHEMBL7360264 0.77 CTSC (0.53) GHSRSSTR4CTSCITGB1ITGA4
SCHEMBL7438536 0.76 NOS2 (0.48) CAPN1
SCHEMBL7607638 0.76 SSTR4 (0.50) GHSRSSTR4CTSCITGB1ITGA4
SCHEMBL7446085 0.74 MEN1 (0.53) CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP disclosed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed