SCHEMBL17090555

SCHEMBL17090555

Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1NCc1ccc(NS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.36
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
ADRB3 P13945 2/20 0.33
HSD11B1 P28845 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL13566083 1.00 L3MBTL1 (0.38) L3MBTL1MAPTCRHBPCRHR2KDM4E
SCHEMBL13565668 0.89 L3MBTL1 (0.38) L3MBTL1MAPTCRHBPCRHR2KDM4E
SCHEMBL17090550 0.86 MAPT (0.44) L3MBTL1MAPTCRHBPCRHR2KDM4E
SCHEMBL13564992 0.86 MAPT (0.44) L3MBTL1MAPTCRHBPCRHR2KDM4E
SCHEMBL17090480 0.86 MAPT (0.44) L3MBTL1MAPTCRHBPCRHR2KDM4E
SCHEMBL13105770 0.86 MAPT (0.44) L3MBTL1MAPTCRHBPCRHR2KDM4E
SCHEMBL11936099 0.86 L3MBTL1 (0.36) L3MBTL1MAPTCRHBPCRHR2KDM4E
SCHEMBL11941265 0.86 L3MBTL1 (0.36) L3MBTL1MAPTCRHBPCRHR2KDM4E
SCHEMBL11940095 0.84 GHSR (0.40) MAPTKDM4ELMNAHSD11B1SMN1; SMN2
SCHEMBL11935854 0.84 GHSR (0.40) MAPTKDM4ELMNAHSD11B1SMN1; SMN2

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed