SCHEMBL7681935

SCHEMBL7681935

O=C(O)CC(NC(=O)OCCC1CCCCC1)C(=O)Cn1nnc(Sc2c(Cl)cccc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.41
CASP3 P42574 5/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
APLNR P35414 3/20 0.33
P2RY12 Q9H244 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL7684699 0.92 CASP1 (0.39) CASP1CASP3CASP6CASP8MEN1
SCHEMBL7686996 0.85 CASP1 (0.39) CASP1CASP3
SCHEMBL7682316 0.85 CASP1 (0.41) CASP1CASP3CASP6CASP8
SCHEMBL7684781 0.84 CASP1 (0.38) CASP1CASP3
SCHEMBL7684058 0.84 CASP1 (0.44) CASP1CASP3
SCHEMBL7684018 0.83 CASP1 (0.37) CASP1CASP3
SCHEMBL7676798 0.83 CASP1 (0.37) CASP1CASP3CASP6CASP8
SCHEMBL7687232 0.82 CASP1 (0.54) CASP1CASP3
SCHEMBL7675668 0.82 CASP1 (0.40) CASP1CASP3
SCHEMBL7679587 0.82 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