SCHEMBL13565486

SCHEMBL13565486

CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(N2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
ALDH1A1 P00352 10/20 0.41
GAA P10253 6/20 0.41
KMT2A Q03164 5/20 0.41
GFER P55789 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 4/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 4/20 0.40
MEN1 O00255 3/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 2/20 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
SCHEMBL13564869 0.99 MAPT (0.43) MAPTALDH1A1GAAKMT2AGFER
SCHEMBL11934919 0.95 MAPT (0.41) MAPTALDH1A1GAAKMT2AGFER
SCHEMBL11934898 0.90 L3MBTL1 (0.45) MAPTALDH1A1GAAKMT2ATDP1
SCHEMBL13565489 0.90 HTR1A (0.46) MAPTGAAKMT2AGFERTDP1
SCHEMBL11934909 0.90 BRD4 (0.46) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL11934899 0.89 HTR6 (0.43) ALDH1A1KDM4ELMNAALOX12
SCHEMBL11935578 0.89 JAK2 (0.35) MAPTALDH1A1GAAKMT2AGFER
SCHEMBL13564924 0.88 CNR2 (0.35) MAPTALDH1A1GAAKMT2AGFER
SCHEMBL13565402 0.88 L3MBTL3 (0.46) L3MBTL1NPC1
SCHEMBL11935570 0.86 MAPT (0.53) MAPTALDH1A1GAAKMT2AGFER

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed