SCHEMBL13972710

SCHEMBL13972710

CC1CN(c2ccc(NC(=O)CCCNS(=O)(=O)C(C)(C)C)cc2)CC(C)O1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
GAA P10253 4/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 2/20 0.42
ALOX15 P16050 1/20 0.42
USP2 O75604 2/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 1/20 0.39

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
SCHEMBL10113454 0.97 MAPT (0.48) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL10113622 0.97 MAPT (0.48) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL10115047 0.97 MAPT (0.48) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL10133426 0.88 MAPT (0.50) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL10114435 0.88 MAPT (0.50) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL10133428 0.87 MAPT (0.48) MAPTALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL10114424 0.87 MAPT (0.48) MAPTALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL10134478 0.85 KDM4E (0.44) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL10134481 0.85 KDM4E (0.44) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL10115019 0.85 KDM4E (0.44) MAPTGAAALDH1A1KDM4ETP53

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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed