SCHEMBL17090296

SCHEMBL17090296

CC(=O)Nc1cccc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
NR4A1 P22736 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
CRHR1 P34998 3/20 0.41
GRIA2 P42262 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK14 Q16539 1/20 0.40
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPY5R Q15761 1/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13564937 1.00 POLB (0.41) POLBNR4A1RAB9AMAPTSMYD3
SCHEMBL13565755 0.89 ALDH1A1 (0.50) RAB9AMAPTCRHR1L3MBTL1ALDH1A1
SCHEMBL17089949 0.89 ALDH1A1 (0.50) RAB9AMAPTCRHR1L3MBTL1ALDH1A1
SCHEMBL17090294 0.89 LMNA (0.43) MAPTALDH1A1KDM4EMAPK14LMNA
SCHEMBL13564735 0.89 LMNA (0.43) MAPTALDH1A1KDM4EMAPK14LMNA
SCHEMBL17090367 0.86 ALDH1A1 (0.48) POLBL3MBTL1ALDH1A1MAPK14LMNA
SCHEMBL13565155 0.86 ALDH1A1 (0.48) POLBL3MBTL1ALDH1A1MAPK14LMNA
SCHEMBL17089962 0.85 OPRD1 (0.43) POLBCRHR1ALDH1A1KDM4ELMNA
SCHEMBL13565514 0.85 OPRD1 (0.43) POLBCRHR1ALDH1A1KDM4ELMNA
SCHEMBL13564974 0.84 GRIA2 (0.58) POLBNR4A1RAB9ASMYD3CRHR1

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