SCHEMBL7679948

SCHEMBL7679948

O=C(O)CC(NC(=O)c1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.42
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
CASP1 P29466 1/20 0.38
CASP3 P42574 3/20 0.38
CTSA P10619 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.36
PYGL P06737 1/20 0.36

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
SCHEMBL8178690 0.88 MAPT (0.49) HDAC6CNR2ALDH1A1POLBTRPV1
SCHEMBL7681033 0.85 CNR2 (0.40) HDAC6CNR2TRPV1CASP1CASP3
SCHEMBL7683594 0.85 CNR2 (0.40) HDAC6CNR2CASP1CASP3
SCHEMBL7680872 0.85 CASP1 (0.49) CNR2CASP1CASP3
SCHEMBL7683470 0.85 CTSA (0.36) HDAC6CNR2CASP1CASP3CTSA
SCHEMBL7683929 0.84 CASP1 (0.58) CASP1CASP3
SCHEMBL7686815 0.84 CASP3 (0.40) HDAC6CNR2ALDH1A1POLBCASP1
SCHEMBL7682121 0.84 CASP1 (0.42) CNR2POLBCASP1CASP3SMN1; SMN2
SCHEMBL7675812 0.84 CNR2 (0.40) HDAC6CNR2TRPV1CASP1CASP3
SCHEMBL7678024 0.83 CNR2 (0.40) CNR2ALDH1A1

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