SCHEMBL8275482

SCHEMBL8275482

Nc1ccccc1N1CCC2(CC1)CC2NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.38
▸ SCN9A Q15858 3/20 0.36
▸ DPP7 Q9UHL4 5/20 0.34
▸ DPP8 Q6V1X1 4/20 0.34
▸ DPP4 P27487 3/20 0.34
▸ DPP9 Q86TI2 3/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ ADAM10 O14672 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL8217853 0.87 NAMPT (0.43) ADAM17SCN9AHTR1A
SCHEMBL16357103 0.87 NAMPT (0.43) ADAM17SCN9AHTR1A
SCHEMBL8274427 0.84 ADAM17 (0.37) ADAM17SCN9ADPP7DPP8DPP4
SCHEMBL8273448 0.78 TSHR (0.40) SCN9AMEN1GAAKMT2A
SCHEMBL8273446 0.78 ADAM17 (0.38) ADAM17DPP7DPP8DPP4DPP9
SCHEMBL8275185 0.77 ADAM17 (0.43) ADAM17DPP7DPP8DPP4DPP9
SCHEMBL8275322 0.76 ADAM17 (0.38) ADAM17DPP7DPP8DPP4DPP9
SCHEMBL8275600 0.72 ADAM17 (0.45) ADAM17DPP7DPP8DPP4DPP9
SCHEMBL8273441 0.70 ADAM17 (0.54) ADAM17DPP7DPP8DPP4DPP9
SCHEMBL8273361 0.70 ADAM17 (0.54) ADAM17DPP7DPP8DPP4DPP9

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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