SCHEMBL8273348

SCHEMBL8273348

N#Cc1cc(F)ccc1N1CCC(CNC(=O)C(O)[C@@H](O)C(=O)N2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 6/20 0.53
▸ CHRM4 P08173 4/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ USP30 Q70CQ3 3/20 0.37
▸ RPS6KB1 P23443 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ RPTOR Q8N122 1/20 0.36
▸ MLST8 Q9BVC4 1/20 0.36

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
SCHEMBL8221438 1.00 ADAM17 (0.53) ADAM17CHRM4FFAR4SCN9ASCN5A
SCHEMBL8213698 0.99 ADAM17 (0.53) ADAM17CHRM4FFAR4SCN9ASCN5A
SCHEMBL8221453 0.98 ADAM17 (0.53) ADAM17CHRM4FFAR4SCN9ASCN5A
SCHEMBL8223432 0.92 ADAM17 (0.49) ADAM17CHRM4FFAR4SCN9ASCN5A
SCHEMBL8414544 0.92 ADAM17 (0.46) ADAM17CHRM4FFAR4SCN9ASCN5A
SCHEMBL8213711 0.92 ADAM17 (0.49) ADAM17CHRM4FFAR4SCN9ASCN5A
SCHEMBL8417459 0.92 ADAM17 (0.47) ADAM17CHRM4FFAR4SCN9ASCN5A
SCHEMBL8220211 0.91 ADAM17 (0.48) ADAM17CHRM4FFAR4SCN9ASCN5A
SCHEMBL8220351 0.91 CHRM4 (0.46) ADAM17CHRM4FFAR4DPP4DPP8
SCHEMBL8218105 0.89 ADAM17 (0.44) 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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