SCHEMBL13565638

SCHEMBL13565638

CCCCOc1ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
EPHX1 P07099 1/20 0.40
CNR2 P34972 2/20 0.37
DGAT1 O75907 1/20 0.37
PABPC1 P11940 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
IDO1 P14902 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL11934985 0.84 NPC1 (0.48) EPHX1CNR2NPC1RAB9ALMNA
SCHEMBL13565497 0.84 GRIA1 (0.44) MEN1KMT2APOLBDGAT1PABPC1
SCHEMBL10113564 0.84 SMN1; SMN2 (0.48) MEN1KMT2APOLBDGAT1LMNA
SCHEMBL13565666 0.82 ADAMTS4 (0.42) MEN1KMT2AIDO1RAB9ALMNA
SCHEMBL13565681 0.80 PNLIP (0.42) POLBEPHX1CNR2LMNAHTT
SCHEMBL13565817 0.79 THRB (0.46) KMT2AEPHX1CNR2CYP2D6LMNA
SCHEMBL11934993 0.79 MEN1 (0.42) MEN1KMT2APOLBDGAT1PABPC1
SCHEMBL13565283 0.76 ALDH1A1 (0.50) MEN1KMT2AEPHX1CNR2CYP3A4
SCHEMBL11934794 0.75 HPGD (0.46) MEN1KMT2APOLBEPHX1CNR2
SCHEMBL13438596 0.75 HPGD (0.46) MEN1KMT2APOLBEPHX1CNR2

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