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SCHEMBL6670787

SCHEMBL6670787

C=CCOC(=O)CC[C@H](NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 7/20 0.36
▸ IL1B P01584 2/20 0.35
▸ LCK P06239 12/20 0.32
▸ MME P08473 1/20 0.31
▸ ACE P12821 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
SCHEMBL6627445 0.91 CASP1 (0.40) CASP1IL1BLCKMMEACE
SCHEMBL6676416 0.89 CASP1 (0.39) CASP1IL1BLCKMMEACE
SCHEMBL6626880 0.88 CASP1 (0.38) CASP1IL1BLCKMMEACE
SCHEMBL6626820 0.87 CASP1 (0.38) CASP1IL1BLCKMMEACE
SCHEMBL6626823 0.87 CASP1 (0.38) CASP1IL1BLCKMMEACE
SCHEMBL6629028 0.87 CASP1 (0.40) CASP1IL1BLCKMMEACE
SCHEMBL6629031 0.87 CASP1 (0.40) CASP1IL1BLCKMMEACE
SCHEMBL6676663 0.83 CASP1 (0.43) CASP1IL1BLCKMMEACE
SCHEMBL7089222 0.82 CASP1 (0.35) CASP1IL1BLCKMMEACE
SCHEMBL6626824 0.81 CASP1 (0.38) CASP1IL1BLCKMMEACE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246824-B1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA SA (FR) 2004-06-09 — — EP claimed