SCHEMBL7684432

SCHEMBL7684432

N#Cc1ccc(CCOC(=O)NC(CC(=O)O)C(=O)Cn2nnc(Sc3c(Cl)cccc3Cl)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.37
HTR1A P08908 2/20 0.34
DRD4 P21917 2/20 0.34
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
OPRM1 P35372 2/20 0.34
MMP12 P39900 2/20 0.34
MMP13 P45452 2/20 0.34
CASP3 P42574 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
CACNA1F O60840 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD2 P14416 1/20 0.33
CNR1 P21554 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 1/20 0.33

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
SCHEMBL7684613 0.92 MMP12 (0.33) CASP1HTR1ADRD4HTR2AHRH1
SCHEMBL7684058 0.91 CASP1 (0.44) CASP1CASP3
SCHEMBL7675668 0.91 CASP1 (0.40) CASP1CASP3
SCHEMBL8171648 0.88 CASP1 (0.36) CASP1
SCHEMBL7684156 0.85 CASP1 (0.36) CASP1HTR1ADRD4HTR2AHRH1
SCHEMBL7686996 0.85 CASP1 (0.39) CASP1CASP3
SCHEMBL7684018 0.83 CASP1 (0.37) CASP1CASP3
SCHEMBL7684781 0.83 CASP1 (0.38) CASP1CASP3
SCHEMBL7687232 0.83 CASP1 (0.54) CASP1CASP3
SCHEMBL7682036 0.83 CASP1 (0.38) 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