SCHEMBL8276124

SCHEMBL8276124

Bc1cnc([C@H](O)[C@@H](O)C(=O)NCC2CCN(c3ccc(F)cc3C#N)CC2)n1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.42
▸ ADAM17 P78536 3/20 0.41
▸ RPS6KB1 P23443 2/20 0.37
▸ CETP P11597 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ MTOR P42345 1/20 0.35
▸ RPTOR Q8N122 1/20 0.35
▸ MLST8 Q9BVC4 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ RET P07949 1/20 0.35

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
SCHEMBL8218328 0.91 CHRM4 (0.42) CHRM4ADAM17RPS6KB1CETPKCNH2
SCHEMBL8215183 0.90 CHRM4 (0.42) CHRM4ADAM17RPS6KB1CETPKCNH2
SCHEMBL8215295 0.88 CHRM4 (0.45) CHRM4ADAM17CETPUSP30MTOR
SCHEMBL8217224 0.87 CHRM4 (0.43) CHRM4ADAM17RPS6KB1CETPKCNH2
SCHEMBL8222096 0.87 CHRM4 (0.43) CHRM4ADAM17RPS6KB1USP30PDPK1
SCHEMBL8215167 0.86 CHRM4 (0.47) CHRM4ADAM17USP30PDPK1
SCHEMBL8222389 0.84 CHRM4 (0.43) CHRM4ADAM17RPS6KB1USP30CHRNA7
SCHEMBL8222101 0.83 CHRM4 (0.44) CHRM4ADAM17RPS6KB1USP30CHRNA7
SCHEMBL8224033 0.83 CHRM4 (0.44) CHRM4ADAM17USP30CHRNA7
SCHEMBL12216760 0.82 CHRM4 (0.48) CHRM4ADAM17CETPUSP30MTOR

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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