SCHEMBL8275381

SCHEMBL8275381

CN/N=C(\NC)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.45
▸ CHRM4 P08173 4/20 0.44
▸ USP30 Q70CQ3 2/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ MTOR P42345 2/20 0.36
▸ RPTOR Q8N122 2/20 0.36
▸ MLST8 Q9BVC4 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ RPS6KB1 P23443 2/20 0.34
▸ LDHA P00338 1/20 0.33

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
SCHEMBL12215263 0.84 ADAM17 (0.51) ADAM17CHRM4USP30FFAR4SCN9A
SCHEMBL8221977 0.83 ADAM17 (0.48) ADAM17CHRM4USP30FFAR4SCN9A
SCHEMBL8221453 0.82 ADAM17 (0.53) ADAM17CHRM4USP30FFAR4SCN9A
SCHEMBL8273348 0.82 ADAM17 (0.53) ADAM17CHRM4USP30FFAR4SCN9A
SCHEMBL8221438 0.82 ADAM17 (0.53) ADAM17CHRM4USP30FFAR4SCN9A
SCHEMBL8213698 0.81 ADAM17 (0.53) ADAM17CHRM4USP30FFAR4SCN9A
SCHEMBL8220211 0.80 ADAM17 (0.48) ADAM17CHRM4USP30FFAR4SCN9A
SCHEMBL8223432 0.80 ADAM17 (0.49) ADAM17CHRM4FFAR4SCN9ASCN5A
SCHEMBL8213711 0.80 ADAM17 (0.49) ADAM17CHRM4USP30FFAR4SCN9A
SCHEMBL8222661 0.79 ADAM17 (0.53) ADAM17CHRM4FFAR4SCN9ASCN5A

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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