SCHEMBL17570692

SCHEMBL17570692

O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(-c3ccc4c(cnn4CC4CC4)c3)cc2)N1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.53

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
SCHEMBL8227297 0.89 ADAM17 (0.67) ADAM17
SCHEMBL8420474 0.88 ADAM17 (0.58) ADAM17
SCHEMBL8227936 0.86 ADAM17 (0.60) ADAM17
SCHEMBL8227022 0.85 ADAM17 (0.55) ADAM17
SCHEMBL14466298 0.79 ADAM17 (0.65) ADAM17
SCHEMBL7906085 0.79 ADAM17 (0.78) ADAM17
SCHEMBL13921897 0.79 ADAM17 (0.79) ADAM17
SCHEMBL8232280 0.78 ADAM17 (0.65) ADAM17
SCHEMBL8232596 0.78 ADAM17 (0.69) ADAM17
SCHEMBL8232363 0.77 ADAM17 (0.77) 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