SCHEMBL7684409

SCHEMBL7684409

Cc1cc(Cl)c(Sc2nnnn2CC(=O)C(CC(=O)O)NC(=O)OCCc2ccc(C#N)cc2)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.32
HTR1A P08908 2/20 0.31
DRD4 P21917 2/20 0.31
HTR2A P28223 2/20 0.31
HRH1 P35367 2/20 0.31
OPRM1 P35372 2/20 0.31
CACNA1F O60840 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
DRD2 P14416 1/20 0.31
CNR1 P21554 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
SLC6A2 P23975 1/20 0.31
HRH2 P25021 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL7684156 0.92 CASP1 (0.36) CASP1HTR1ADRD4HTR2AHRH1
SCHEMBL7683251 0.90 ALDH1A1 (0.36) CASP1
SCHEMBL7684613 0.86 MMP12 (0.33) CASP1HTR1ADRD4HTR2AHRH1
SCHEMBL7686252 0.83 CASP1 (0.46) CASP1
SCHEMBL7679421 0.83 CASP1 (0.43) CASP1
SCHEMBL7683990 0.83 CASP1 (0.40) CASP1
SCHEMBL7676854 0.82 ALDH1A1 (0.35) CASP1
SCHEMBL8165543 0.81 CASP1 (0.35) CASP1
SCHEMBL7682636 0.81 ALDH1A1 (0.37) CASP1
SCHEMBL7678219 0.79 ALDH1A1 (0.36)

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