SCHEMBL7687325

SCHEMBL7687325

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnc(Cc2cccnc2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.48
CNR2 P34972 1/20 0.44
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
Hydrochloric Acid SCHEMBL7688369 0.99 CASP1 (0.48) CASP1CNR2CTSBCTSSCTSK
SCHEMBL7675818 0.92 CASP1 (0.53) CASP1CNR2
SCHEMBL7684639 0.86 CASP1 (0.56) CASP1
SCHEMBL7680334 0.86 CASP1 (0.51) CASP1
Hydrochloric Acid SCHEMBL7693605 0.85 CASP1 (0.51) CASP1
SCHEMBL7679453 0.84 CASP1 (0.55) CASP1
SCHEMBL7683929 0.84 CASP1 (0.58) CASP1
SCHEMBL7686839 0.84 CASP1 (0.48) CASP1
SCHEMBL7683838 0.84 CASP1 (0.50) CASP1
SCHEMBL7683117 0.84 CASP1 (0.52) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed