SCHEMBL7680932

SCHEMBL7680932

CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.46
CASP3 P42574 14/20 0.39
CASP8 Q14790 11/20 0.39
CASP6 P55212 5/20 0.39
HRH1 P35367 1/20 0.38
CASP7 P55210 5/20 0.37
BACE1 P56817 1/20 0.36
CCR1 P32246 1/20 0.36

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
SCHEMBL7683594 0.88 CNR2 (0.40) CASP1CASP3
SCHEMBL7440025 0.88 CASP1 (0.48) CASP1CASP3CASP8CASP6HRH1
SCHEMBL7439311 0.87 CASP1 (0.48) CASP1CASP3CASP8CASP6HRH1
SCHEMBL7436443 0.86 CASP1 (0.46) CASP1CASP3CASP8CASP6HRH1
SCHEMBL7433121 0.85 CASP1 (0.45) CASP1CASP3CASP8CASP6HRH1
SCHEMBL7680380 0.85 CASP1 (0.46) CASP1CASP3CASP8CASP6HRH1
SCHEMBL7440398 0.85 CASP1 (0.52) CASP1CASP3CASP8CASP6HRH1
SCHEMBL7434545 0.84 CASP1 (0.47) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7683748 0.84 CASP1 (0.49) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7438171 0.84 CASP1 (0.48) CASP1CCR1

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