SCHEMBL8274446

SCHEMBL8274446

Cc1nc2c(s1)CN(C(=O)C(O)C(O)C(=O)NCC1CCN(c3ccc(F)cc3C#N)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.43
▸ CHRM4 P08173 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ DPP8 Q6V1X1 2/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ GRM5 P41594 1/20 0.35
▸ GPR6 P46095 6/20 0.34
▸ NPY5R Q15761 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ RPTOR Q8N122 1/20 0.34
▸ MLST8 Q9BVC4 1/20 0.34
▸ EIF4E P06730 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 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
SCHEMBL8222795 1.00 ADAM17 (0.43) ADAM17CHRM4HDAC1HDAC2DPP8
SCHEMBL8273783 0.89 HDAC1 (0.43) ADAM17HDAC1HDAC2DPP8DPP4
SCHEMBL8221817 0.84 ADAM17 (0.43) ADAM17CHRM4HDAC1HDAC2GPR6
SCHEMBL13542023 0.83 ADAM17 (0.44) ADAM17CHRM4GPR6USP30
SCHEMBL8222661 0.82 ADAM17 (0.53) ADAM17CHRM4MTORRPTORMLST8
SCHEMBL8273348 0.82 ADAM17 (0.53) ADAM17CHRM4DPP8DPP4DPP9
SCHEMBL8221438 0.82 ADAM17 (0.53) ADAM17CHRM4DPP8DPP4DPP9
SCHEMBL8221453 0.82 ADAM17 (0.53) ADAM17CHRM4DPP8DPP4DPP9
SCHEMBL8214415 0.82 ADAM17 (0.46) ADAM17CHRM4DPP8DPP9GPR6
SCHEMBL8213698 0.81 ADAM17 (0.53) ADAM17CHRM4DPP8DPP4DPP9

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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