SCHEMBL7683594

SCHEMBL7683594

O=C(O)CC(NC(=O)CCc1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CASP1 P29466 5/20 0.40
TP53 P04637 1/20 0.38
P2RX7 Q99572 1/20 0.38
PIN1 Q13526 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PRCP P42785 2/20 0.37
IL1B P01584 1/20 0.37
CASP3 P42574 2/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP10 P09238 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 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
SCHEMBL8176732 0.89 MAPT (0.46) CNR2CTSGCMA1TP53
SCHEMBL7680932 0.88 CASP1 (0.46) CASP1CASP3
SCHEMBL7675812 0.88 CNR2 (0.40) CNR2CASP1TP53HDAC6CASP3
SCHEMBL7680032 0.87 CASP1 (0.48) CNR2CASP1CASP3
SCHEMBL7681021 0.86 CNR2 (0.38) CNR2CASP1TP53HDAC6CASP3
SCHEMBL7681033 0.85 CNR2 (0.40) CNR2CASP1TP53HDAC6CASP3
SCHEMBL7680363 0.85 CASP1 (0.47) CNR2CASP1CASP3
SCHEMBL7679948 0.85 HDAC6 (0.42) CNR2CASP1HDAC6CASP3
SCHEMBL7682121 0.85 CASP1 (0.42) CNR2CASP1CASP3
SCHEMBL7683929 0.85 CASP1 (0.58) 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