SCHEMBL7684191

SCHEMBL7684191

COc1ccc(CCOC(=O)NC(CC(=O)O)C(=O)Cn2nnc(Cc3c(Cl)cccc3Cl)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 2/20 0.41
CASP1 P29466 3/20 0.41
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
GAA P10253 1/20 0.36
MDM2 Q00987 1/20 0.36
CTSA P10619 1/20 0.35

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
SCHEMBL7680032 0.92 CASP1 (0.48) CNR2CASP1
SCHEMBL7682110 0.91 CASP1 (0.42) CNR2CASP1MAPT
SCHEMBL8177183 0.90 CASP1 (0.40) ALDH1A1SMN1; SMN2CNR2CASP1POLB
Hydrochloric Acid SCHEMBL7695929 0.89 CASP1 (0.40) ALDH1A1SMN1; SMN2CNR2CASP1POLB
SCHEMBL7680363 0.87 CASP1 (0.47) SMN1; SMN2CNR2CASP1RECQL
SCHEMBL7683810 0.86 CASP1 (0.46) CNR2CASP1
SCHEMBL7683599 0.85 CASP1 (0.50) CNR2CASP1
SCHEMBL8171644 0.84 CASP1 (0.41) ALDH1A1SMN1; SMN2CASP1CHRM5CHRM1
SCHEMBL7680872 0.84 CASP1 (0.49) CNR2CASP1
SCHEMBL7697969 0.84 CASP1 (0.38) ALDH1A1SMN1; SMN2CNR2CASP1MAPT

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