SCHEMBL17090341

SCHEMBL17090341

CC(C)S(=O)(=O)NCCCCCNc1ccc(-c2csnn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.49
GRIA1 P42261 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MGLL Q99685 2/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
NOTUM Q6P988 1/20 0.40
MDM2 Q00987 1/20 0.39
HPGD P15428 1/20 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
SCHEMBL17089983 0.84 PTPN1 (0.45) NPY5RGRIA1ALDH1A1MGLLPKM
SCHEMBL17090338 0.84 PKM (0.48) NPY5RALDH1A1MGLLPKMNPC1
SCHEMBL10113740 0.84 LMNA (0.49) NPY5RALDH1A1MGLLPKMNPC1
SCHEMBL10113879 0.78 MGLL (0.44) NPY5RALDH1A1MGLLPKMNPC1
SCHEMBL13565845 0.77 GRIA1 (0.54) NPY5RGRIA1ALDH1A1PKMLMNA
SCHEMBL13564802 0.77 GRIA1 (0.54) NPY5RGRIA1ALDH1A1PKMLMNA
SCHEMBL13564968 0.76 GRIA1 (0.59) NPY5RGRIA1ALDH1A1PKMKMT2A
SCHEMBL11935729 0.76 GRIA1 (0.59) NPY5RGRIA1ALDH1A1LMNARAB9A
SCHEMBL17090446 0.75 NPY5R (0.49) NPY5RGRIA1
SCHEMBL13564814 0.74 GRIA1 (0.58) NPY5RGRIA1ALDH1A1MAPTKMT2A

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