SCHEMBL7684613

SCHEMBL7684613

Cc1cc(Cl)c(Sc2nnn(CC(=O)C(CC(=O)O)NC(=O)OCCc3ccc(C#N)cc3)n2)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
CASP1 P29466 5/20 0.32
HTR1A P08908 2/20 0.32
DRD4 P21917 2/20 0.32
HTR2A P28223 2/20 0.32
HRH1 P35367 2/20 0.32
OPRM1 P35372 2/20 0.32
CACNA1F O60840 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DRD2 P14416 1/20 0.32
CNR1 P21554 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 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
SCHEMBL7684432 0.92 CASP1 (0.37) MMP12MMP13CASP1HTR1ADRD4
SCHEMBL7684409 0.86 CASP1 (0.32) MMP12MMP13PTGESALOX5PPARG
SCHEMBL7682343 0.83 CASP3 (0.47) CASP1CASP3
SCHEMBL7684058 0.83 CASP1 (0.44) CASP1CASP3TP53
SCHEMBL7675668 0.82 CASP1 (0.40) CASP1CASP3
SCHEMBL7685536 0.82 MDM2 (0.34) MMP13CASP1
SCHEMBL8171648 0.81 CASP1 (0.36) CASP1
SCHEMBL7680365 0.80 CASP1 (0.36) CASP1
SCHEMBL7679529 0.79 TP53 (0.36) CASP1CASP3TP53
SCHEMBL7686996 0.79 CASP1 (0.39) CASP1CASP3TP53

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