SCHEMBL7684699

SCHEMBL7684699

O=C(O)CC(NC(=O)OCC1CCCCC1)C(=O)Cn1nnc(Sc2c(Cl)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.39
CASP3 P42574 5/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
MGLL Q99685 2/20 0.35
P2RY12 Q9H244 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MDM4 O15151 1/20 0.34
TP53 P04637 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
SCHEMBL7681935 0.92 CASP1 (0.41) CASP1CASP3CASP6CASP8P2RY12
SCHEMBL7682125 0.85 CASP1 (0.39) CASP1CASP3CASP6CASP8MGLL
SCHEMBL7687232 0.84 CASP1 (0.54) CASP1CASP3
SCHEMBL7686996 0.83 CASP1 (0.39) CASP1CASP3TP53
SCHEMBL7684781 0.82 CASP1 (0.38) CASP1CASP3TP53
SCHEMBL7684058 0.82 CASP1 (0.44) CASP1CASP3TP53
SCHEMBL7684018 0.81 CASP1 (0.37) CASP1CASP3TP53
SCHEMBL7676798 0.81 CASP1 (0.37) CASP1CASP3CASP6CASP8TP53
SCHEMBL7675668 0.80 CASP1 (0.40) CASP1CASP3
SCHEMBL7679587 0.80 CASP1 (0.36) CASP1CASP3

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