SCHEMBL4584400

SCHEMBL4584400

CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
LMNA P02545 4/20 0.56
MAPK1 P28482 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 1/20 0.56
GPR119 Q8TDV5 10/20 0.52
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
PTK2 Q05397 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL29157428 0.86 MAPT (0.74) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL3767565 0.86 MAPT (0.74) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL3765754 0.86 RAB9A (0.66) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL13208949 0.86 MAPT (0.58) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL17541711 0.85 MAPT (0.67) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL1473079 0.85 MAPT (0.58) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL27315644 0.82 LMNA (0.59) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL1118307 0.81 GPR119 (0.67) GPR119
SCHEMBL3767461 0.79 MAPT (0.54) MAPTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL3778538 0.78 SMN1; SMN2 (0.59) MAPTLMNAMAPK1SMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed