SCHEMBL7675679

SCHEMBL7675679

CN(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)Cn1nnnc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.38
TACR1 P25103 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ALDH1A1 P00352 2/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 1/20 0.35
CASP3 P42574 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
TACR2 P21452 2/20 0.34
MAPK1 P28482 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL7687230 0.91 HDAC1 (0.39) CASP1HDAC1HDAC6ALDH1A1MEN1
SCHEMBL7684215 0.83 CASP1 (0.40) CASP1ALDH1A1P2RX7CASP3TRPV1
SCHEMBL8172773 0.83 ALDH1A1 (0.40) CASP1HDAC1HDAC6ALDH1A1MEN1
SCHEMBL7683292 0.82 CASP1 (0.58) CASP1CASP3
SCHEMBL7684400 0.82 CASP1 (0.39) CASP1ALDH1A1MEN1KMT2AP2RX7
SCHEMBL7680016 0.81 CASP1 (0.48) CASP1CASP3
SCHEMBL7684425 0.80 CASP1 (0.38) CASP1ALDH1A1MEN1KMT2ACASP3
SCHEMBL7686491 0.80 MAPK1 (0.41) CASP1CASP3TRPV1MAPK1
SCHEMBL7686569 0.80 CASP1 (0.47) CASP1CASP3
SCHEMBL7681972 0.79 CASP1 (0.51) 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