SCHEMBL7679387

SCHEMBL7679387

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1Sc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.47
CASP1 P29466 16/20 0.46
OPRK1 P41145 1/20 0.41

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
SCHEMBL7683787 0.93 CASP3 (0.47) CASP3CASP1
SCHEMBL7683824 0.92 CASP3 (0.47) CASP3CASP1
SCHEMBL7680168 0.92 CASP1 (0.51) CASP3CASP1
SCHEMBL7679831 0.90 CASP1 (0.47) CASP3CASP1
SCHEMBL7684413 0.90 CASP1 (0.43) CASP3CASP1
SCHEMBL7682136 0.88 CASP1 (0.48) CASP3CASP1
SCHEMBL8164646 0.88 CASP1 (0.51) CASP3CASP1
SCHEMBL7682431 0.87 CASP1 (0.47) CASP3CASP1
SCHEMBL7680995 0.86 CASP1 (0.53) CASP3CASP1
SCHEMBL7687190 0.86 CASP1 (0.47) CASP3CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 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-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
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