SCHEMBL7682345

SCHEMBL7682345

O=C(O)CC(NS(=O)(=O)CCCc1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.40
CNR2 P34972 2/20 0.38
HDAC6 Q9UBN7 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
MGLL Q99685 1/20 0.34
DOT1L Q8TEK3 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
POLB P06746 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
SCHEMBL7679743 0.90 CNR2 (0.37) CNR2
SCHEMBL7679645 0.90 CNR2 (0.40) CASP1CNR2HDAC6DOT1LMMP2
SCHEMBL7685555 0.88 CNR2 (0.36) CNR2
SCHEMBL7677083 0.88 CNR2 (0.36) CASP1CNR2HDAC6DOT1LNPC1
SCHEMBL7679609 0.86 CASP1 (0.44) CASP1CNR2MMP2MMP9
SCHEMBL7675723 0.85 CASP1 (0.43) CASP1CNR2DOT1LNPC1RAB9A
SCHEMBL7678024 0.85 CNR2 (0.40) CNR2MMP2MMP9
SCHEMBL7685686 0.84 CNR2 (0.39) CASP1CNR2HDAC6DOT1LMMP2
SCHEMBL7679416 0.84 CNR2 (0.38) CNR2MMP2MMP9L3MBTL1
SCHEMBL8171963 0.84 CNR2 (0.36) CNR2DOT1LNPC1HPGDRAB9A

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