SCHEMBL7942938

SCHEMBL7942938

C=C1NC(=O)C(CN)(c2ccc(-c3ccc([C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3)cc2)N1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.75
TNF P01375 2/20 0.68

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
SCHEMBL7943315 0.95 ADAM17 (0.83) ADAM17TNF
SCHEMBL17570687 0.86 ADAM17 (0.72) ADAM17
SCHEMBL5955442 0.86 ADAM17 (0.77) ADAM17
SCHEMBL13462228 0.86 ADAM17 (0.83) ADAM17
SCHEMBL8227355 0.86 ADAM17 (0.94) ADAM17
SCHEMBL8232400 0.86 ADAM17 (1.00) ADAM17
SCHEMBL8227091 0.85 ADAM17 (1.00) ADAM17
SCHEMBL10263787 0.85 ADAM17 (0.94) ADAM17
SCHEMBL8227356 0.84 ADAM17 (0.85) ADAM17
SCHEMBL12860568 0.84 ADAM17 (0.81) 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-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO disclosed