SCHEMBL17570599

SCHEMBL17570599

C=C1NC(=O)[C@](CN2Cc3ccc(OC)cc3C2=O)(c2ccc(-c3ccccn3)cc2)N1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.85

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
SCHEMBL6005070 0.92 ADAM17 (1.00) ADAM17
SCHEMBL17570676 0.90 ADAM17 (0.69) ADAM17
SCHEMBL17570797 0.85 ADAM17 (0.66) ADAM17
SCHEMBL17570677 0.85 ADAM17 (0.67) ADAM17
SCHEMBL17570686 0.85 ADAM17 (0.62) ADAM17
SCHEMBL8227325 0.84 ADAM17 (0.85) ADAM17
SCHEMBL17570687 0.83 ADAM17 (0.72) ADAM17
SCHEMBL14466751 0.83 ADAM17 (0.84) ADAM17
SCHEMBL12860490 0.82 ADAM17 (0.82) ADAM17
SCHEMBL7942938 0.82 ADAM17 (0.75) 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
EP-1976849-B1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME (US) 2016-03-09 EP disclosed