SCHEMBL8276983

SCHEMBL8276983

Cc1ccc(N2CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3Cc4ccncc4C3)CC2)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.45
▸ NAMPT P43490 16/20 0.42

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
SCHEMBL8214539 0.91 ADAM17 (0.45) ADAM17NAMPT
SCHEMBL8275285 0.81 NAMPT (0.42) NAMPT
SCHEMBL8222661 0.80 ADAM17 (0.53) ADAM17
SCHEMBL12216389 0.80 NAMPT (0.41) NAMPT
SCHEMBL8273353 0.79 ADAM17 (0.61) ADAM17NAMPT
SCHEMBL8274846 0.79 ADAM17 (0.61) ADAM17NAMPT
SCHEMBL8214329 0.79 ADAM17 (0.44) ADAM17
SCHEMBL8275874 0.78 ADAM17 (0.43) ADAM17NAMPT
SCHEMBL8221817 0.78 ADAM17 (0.43) ADAM17
SCHEMBL8224777 0.78 NAMPT (0.42) NAMPT

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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