SCHEMBL8273742

SCHEMBL8273742

Nc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2nccs2)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 19/20 0.61
▸ PKM P14618 1/20 0.44

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
SCHEMBL8275636 0.89 ADAM17 (0.67) ADAM17PKM
SCHEMBL8277009 0.89 ADAM17 (0.67) ADAM17PKM
SCHEMBL8216993 0.89 ADAM17 (0.67) ADAM17PKM
SCHEMBL8274404 0.87 ADAM17 (0.55) ADAM17
SCHEMBL8273746 0.81 ADAM17 (0.59) ADAM17
SCHEMBL8273283 0.80 ADAM17 (0.63) ADAM17
SCHEMBL8273739 0.79 ADAM17 (0.79) ADAM17
SCHEMBL8274406 0.78 ADAM17 (0.49) ADAM17PKM
SCHEMBL8273741 0.76 ADAM17 (0.48) ADAM17PKM
SCHEMBL8213114 0.76 ADAM17 (1.00) 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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