SCHEMBL7439400

SCHEMBL7439400

CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)Cn1nnnc1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.48
CASP3 P42574 13/20 0.38
CASP8 Q14790 11/20 0.38
CASP7 P55210 4/20 0.38
CASP6 P55212 5/20 0.38
HRH1 P35367 1/20 0.38
P2RX7 Q99572 1/20 0.37
CCR1 P32246 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL7437728 0.93 CASP1 (0.49) CASP1CASP3CASP8CASP7CASP6
SCHEMBL7441956 0.92 CASP1 (0.48) CASP1CASP3CASP8CASP7CASP6
SCHEMBL7438695 0.89 CASP1 (0.46) CASP1CASP3CASP8CASP7CASP6
SCHEMBL7427145 0.88 CASP1 (0.49) CASP1CASP3CASP8CASP7CASP6
SCHEMBL7680380 0.87 CASP1 (0.46) CASP1CASP3CASP8CASP7CASP6
SCHEMBL7431671 0.86 CASP1 (0.49) CASP1CASP3CASP8CASP7CASP6
SCHEMBL7436074 0.86 CASP1 (0.48) CASP1CASP3CASP8CASP7CASP6
Hydrochloric Acid SCHEMBL7438675 0.86 CASP1 (0.47) CASP1CASP3CASP8CASP7CASP6
SCHEMBL7429909 0.85 CASP1 (0.48) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7439311 0.85 CASP1 (0.48) CASP1CASP3CASP8CASP7CASP6

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-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US claimed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP claimed
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed