SCHEMBL7684373

SCHEMBL7684373

O=C(O)CC(NC(=O)OCCc1cccs1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.39
CNR2 P34972 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ITGA4 P13612 1/20 0.33
CASP3 P42574 1/20 0.33
IL1B P01584 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAPT P10636 2/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
MC1R Q01726 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL7680032 0.88 CASP1 (0.48) CASP1CNR2CASP3
SCHEMBL7697969 0.88 CASP1 (0.38) CASP1CNR2ITGA4CASP3MAPT
SCHEMBL7680872 0.86 CASP1 (0.49) CASP1CNR2CASP3
SCHEMBL7682065 0.85 CASP1 (0.40) CASP1ITGA4CASP3IL1BP2RX7
SCHEMBL7682110 0.85 CASP1 (0.42) CASP1CNR2CASP3MAPTTHRB
SCHEMBL7680363 0.85 CASP1 (0.47) CASP1CNR2NPC1RAB9ACASP3
SCHEMBL7683927 0.84 CASP1 (0.41) CASP1CNR2NPC1RAB9ACASP3
SCHEMBL7683599 0.84 CASP1 (0.50) CASP1CNR2CASP3
SCHEMBL7683810 0.84 CASP1 (0.46) CASP1CNR2CASP3
SCHEMBL7684191 0.83 ALDH1A1 (0.41) CASP1CNR2MAPTSMN1; SMN2ALDH1A1

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