SCHEMBL8273579

SCHEMBL8273579

Nc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.41
▸ ADAM17 P78536 2/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 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
SCHEMBL8273591 0.92 ADAM17 (0.43) ADAM17ALDH1A1HTTNAMPTMEN1
SCHEMBL8273310 0.92 GAA (0.44) ADAM17ALDH1A1HTTNAMPTMEN1
SCHEMBL8273592 0.91 HTT (0.46) CTSSADAM17ALDH1A1HTTNAMPT
SCHEMBL8273588 0.89 ADAM17 (0.40) ADAM17ALDH1A1HTTMEN1KMT2A
SCHEMBL8223432 0.87 ADAM17 (0.49) CTSSADAM17CNR2CNR1CTSL
SCHEMBL8273578 0.86 ADAM17 (0.39) ADAM17ALDH1A1HTTMEN1KMT2A
SCHEMBL8274407 0.86 ADAM17 (0.43) ADAM17ALDH1A1HTTNAMPTMEN1
SCHEMBL8273311 0.86 ADAM17 (0.41) ADAM17ALDH1A1HTTMEN1KMT2A
SCHEMBL8276118 0.86 ADAM17 (0.43) ADAM17ALDH1A1HTTNAMPTMEN1
SCHEMBL8273443 0.85 DPP4 (0.41) ADAM17ALDH1A1HTTMEN1KMT2A

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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