SCHEMBL7686501

SCHEMBL7686501

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 19/20 0.51
P2RX7 Q99572 1/20 0.47

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
Hydrochloric Acid SCHEMBL7693824 0.99 CASP1 (0.50) CASP1P2RX7
SCHEMBL7427155 0.95 CASP1 (0.54) CASP1
SCHEMBL7447398 0.93 CASP1 (0.53) CASP1
SCHEMBL7438326 0.89 CASP1 (0.50) CASP1
SCHEMBL7434554 0.89 CASP1 (0.52) CASP1
SCHEMBL8176680 0.88 CASP1 (0.48) CASP1
SCHEMBL7427484 0.87 CASP1 (0.47) CASP1
SCHEMBL7680156 0.85 KMT2A (0.49) CASP1
SCHEMBL7440546 0.84 CASP1 (0.49) CASP1
SCHEMBL7437562 0.84 CASP1 (0.55) CASP1

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
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 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-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