SCHEMBL16357752

SCHEMBL16357752

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.46
▸ ADAM17 P78536 3/20 0.43
▸ DPP4 P27487 3/20 0.39
▸ DPP9 Q86TI2 2/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ CHRNA7 P36544 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ RPS6KB1 P23443 2/20 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
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ RORC P51449 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
SCHEMBL8273348 0.86 ADAM17 (0.53) CHRM4ADAM17DPP4DPP9DPP8
SCHEMBL8221438 0.86 ADAM17 (0.53) CHRM4ADAM17DPP4DPP9DPP8
SCHEMBL8213698 0.85 ADAM17 (0.53) CHRM4ADAM17DPP4DPP9DPP8
SCHEMBL8220211 0.84 ADAM17 (0.48) CHRM4ADAM17DPP4DPP9DPP8
SCHEMBL8221453 0.84 ADAM17 (0.53) CHRM4ADAM17DPP4DPP9DPP8
SCHEMBL8274946 0.84 CHRM4 (0.48) CHRM4ADAM17DPP4DPP9DPP8
SCHEMBL8414544 0.84 ADAM17 (0.46) CHRM4ADAM17DPP4DPP9DPP8
SCHEMBL8417459 0.84 ADAM17 (0.47) CHRM4ADAM17DPP4DPP9DPP8
SCHEMBL8218105 0.81 ADAM17 (0.44) CHRM4ADAM17DPP4DPP9DPP8
SCHEMBL8218112 0.81 ADAM17 (0.46) CHRM4ADAM17DPP4DPP9DPP8

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-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 — — WO disclosed
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