SCHEMBL7448530

SCHEMBL7448530

C[C@](NC(=O)CCc1ccccc1)(C(=O)N[C@H]1C(=O)N[C@@H]1OCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.42
CTSL P07711 11/20 0.42
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSS P25774 8/20 0.39
CTSB P07858 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
PPARD Q03181 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL7448890 0.90 CTSK (0.43) CTSKCTSLPOLBGAACYP2C19
SCHEMBL7473512 0.86 CTSK (0.37) CTSKCTSLPOLBGAACYP2C19
SCHEMBL7443864 0.83 TPH1 (0.40) CTSKCTSLPOLBGAACYP2C19
SCHEMBL7479457 0.83 CTSL (0.40) CTSKCTSLPOLBGAACYP2C19
SCHEMBL7471833 0.83 CTSL (0.40) CTSKCTSLPOLBGAACYP2C19
SCHEMBL7472071 0.81 POLB (0.34) POLBGAACYP2C19MTNR1AMTNR1B
SCHEMBL7475989 0.80 CTSK (0.54) CTSKCTSLCTSSCTSB
SCHEMBL7448507 0.80 KMT2A (0.42) CTSKCTSLPOLBGAACYP2C19
SCHEMBL7444730 0.79 CTSK (0.55) CTSKCTSLCTSSCTSB
SCHEMBL7469816 0.76 CTSK (0.47) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP claimed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO claimed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO disclosed