SCHEMBL7682065

SCHEMBL7682065

O=C(O)CC(NC(=O)OCCc1cccs1)C(=O)Cn1nnnc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.40
MC4R P32245 3/20 0.34
MC3R P41968 2/20 0.34
MC5R P33032 1/20 0.34
MC1R Q01726 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CASP3 P42574 1/20 0.33
ITGA4 P13612 1/20 0.32
IL1B P01584 1/20 0.31
P2RX7 Q99572 1/20 0.31
DOT1L Q8TEK3 1/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL7680016 0.88 CASP1 (0.48) CASP1KDM4CCASP3
SCHEMBL7678093 0.85 CASP1 (0.42) CASP1ALDH1A1KDM4CHPGDCASP3
SCHEMBL7686569 0.85 CASP1 (0.47) CASP1CASP3
SCHEMBL7684373 0.85 CASP1 (0.39) CASP1MC4RMC3RMC5RMC1R
SCHEMBL7675664 0.85 CASP1 (0.41) CASP1KDM4CCASP3P2RX7DOT1L
SCHEMBL7683677 0.85 CASP1 (0.50) CASP1CASP3
SCHEMBL7686951 0.85 CASP1 (0.46) CASP1CASP3
SCHEMBL8171644 0.84 CASP1 (0.41) CASP1ALDH1A1KDM4CCASP3CYP3A4
SCHEMBL8178640 0.83 CASP1 (0.40) CASP1ALDH1A1CASP3MEN1MAPT
SCHEMBL7683292 0.83 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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