SCHEMBL7680032

SCHEMBL7680032

O=C(O)CC(NC(=O)OCCc1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.48
CNR2 P34972 2/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL7680363 0.95 CASP1 (0.47) CASP1CNR2CASP3
SCHEMBL7683810 0.94 CASP1 (0.46) CASP1CNR2CASP3
SCHEMBL7682110 0.93 CASP1 (0.42) CASP1CNR2CASP3
SCHEMBL7683599 0.93 CASP1 (0.50) CASP1CNR2CASP3
SCHEMBL7684191 0.92 ALDH1A1 (0.41) CASP1CNR2
SCHEMBL7683929 0.91 CASP1 (0.58) CASP1CASP3
SCHEMBL8177183 0.91 CASP1 (0.40) CASP1CNR2CASP3
Hydrochloric Acid SCHEMBL7695929 0.91 CASP1 (0.40) CASP1CNR2CASP3
SCHEMBL7683927 0.89 CASP1 (0.41) CASP1CNR2CASP3
SCHEMBL7680872 0.88 CASP1 (0.49) CASP1CNR2CASP3

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