SCHEMBL13565892

SCHEMBL13565892

CC1CN(c2ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2Cl)CC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
NPY5R Q15761 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 2/20 0.34
NPY2R P49146 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRD4 O60885 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MAPT P10636 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL17090414 1.00 KDM4E (0.38) KDM4ELMNAGAAHPGDMAPK1
SCHEMBL13565736 0.89 USP30 (0.39) KDM4ELMNAGAACNR2SMN1; SMN2
SCHEMBL11935544 0.89 KDM4E (0.38) KDM4ELMNAGAACNR2SMN1; SMN2
SCHEMBL11935738 0.86 GRIA1 (0.38) KDM4ELMNAGAAHPGDMAPK1
SCHEMBL11941197 0.86 GRIA1 (0.38) KDM4ELMNAGAAHPGDMAPK1
SCHEMBL10133519 0.86 NPC1 (0.48) KDM4ELMNAGAASMN1; SMN2TSHR
SCHEMBL10115011 0.86 NPC1 (0.48) KDM4ELMNAGAASMN1; SMN2TSHR
SCHEMBL11940986 0.83 MAPT (0.44) CNR2NPY5RBRD4MAPT
SCHEMBL17090267 0.83 MAPT (0.44) CNR2NPY5RBRD4MAPT
SCHEMBL11934925 0.83 MAPT (0.44) CNR2NPY5RBRD4MAPT

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