SCHEMBL8276118

SCHEMBL8276118

Nc1cc(F)ccc1N1CCC(CNC(=O)C(O)C(O)C(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 5/20 0.43
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DPP9 Q86TI2 6/20 0.37
▸ DPP8 Q6V1X1 5/20 0.37
▸ DPP4 P27487 3/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ DPP7 Q9UHL4 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL8274407 1.00 ADAM17 (0.43) ADAM17ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8275183 0.93 ADAM17 (0.43) ADAM17MEN1KMT2ADPP9DPP8
SCHEMBL8275981 0.90 NAMPT (0.42) ADAM17ALDH1A1L3MBTL1DPP9DPP8
SCHEMBL14494381 0.90 ADAM17 (0.43) ADAM17MEN1KMT2ADPP9DPP8
SCHEMBL8273765 0.90 ADAM17 (0.43) ADAM17MEN1KMT2ADPP9DPP8
SCHEMBL8275285 0.90 NAMPT (0.42) NAMPT
SCHEMBL8221017 0.89 ADAM17 (0.42) ADAM17ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8222034 0.89 ADAM17 (0.43) ADAM17MEN1KMT2ADPP9DPP8
SCHEMBL8273591 0.89 ADAM17 (0.43) ADAM17ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8273310 0.89 GAA (0.44) ADAM17ALDH1A1L3MBTL1MEN1KMT2A

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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