SCHEMBL8273446

SCHEMBL8273446

CC1(NC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC12CCN(c1ccccc1N)CC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.38
▸ ADRA2C P18825 1/20 0.36
▸ DPP7 Q9UHL4 5/20 0.33
▸ DPP8 Q6V1X1 4/20 0.33
▸ DPP9 Q86TI2 3/20 0.33
▸ DPP4 P27487 3/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ NOTUM Q6P988 2/20 0.33
▸ ADAM10 O14672 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ HDAC8 Q9BY41 2/20 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
SCHEMBL13544574 0.87 NAMPT (0.43) ADAM17DPP8HTR1ADRD2
SCHEMBL8275322 0.86 ADAM17 (0.38) ADAM17ADRA2CDPP7DPP8DPP9
SCHEMBL8275185 0.78 ADAM17 (0.43) ADAM17ADRA2CDPP7DPP8DPP9
SCHEMBL8275482 0.78 ADAM17 (0.38) ADAM17ADRA2CDPP7DPP8DPP9
SCHEMBL8273738 0.71 ADAM17 (0.45) ADAM17HTR1ADRD2ADAM10MMP12
SCHEMBL8275600 0.70 ADAM17 (0.45) ADAM17DPP7DPP8DPP9DPP4
SCHEMBL8274430 0.70 ADAM17 (0.49) ADAM17ADAM10MMP12MMP13
SCHEMBL8273361 0.69 ADAM17 (0.54) ADAM17DPP7DPP8DPP9DPP4
SCHEMBL8273441 0.69 ADAM17 (0.54) ADAM17DPP7DPP8DPP9DPP4
SCHEMBL8274845 0.69 ADAM17 (0.44) ADAM17HTR1ADRD2ADAM10MMP12

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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