SCHEMBL8275809

SCHEMBL8275809

N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2C2=CC(Cl)=CCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 20/20 0.58

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
SCHEMBL8273347 0.87 ADAM17 (0.56) ADAM17
SCHEMBL8276599 0.85 ADAM17 (0.60) ADAM17
SCHEMBL8273351 0.84 ADAM17 (0.79) ADAM17
SCHEMBL8213654 0.84 ADAM17 (0.79) ADAM17
SCHEMBL8219908 0.84 ADAM17 (0.79) ADAM17
SCHEMBL8213691 0.82 ADAM17 (0.69) ADAM17
SCHEMBL8210486 0.82 ADAM17 (0.62) ADAM17
SCHEMBL8276676 0.82 ADAM17 (0.62) ADAM17
SCHEMBL8275109 0.79 ADAM17 (0.58) ADAM17
SCHEMBL8276165 0.77 ADAM17 (0.54) ADAM17

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
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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