SCHEMBL17090502

SCHEMBL17090502

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2nnc(-c3ccc(F)cc3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.42
PI4KB Q9UBF8 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 1/20 0.38
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA2 P00918 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NPC1 O15118 2/20 0.36
JAK2 O60674 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL13564957 1.00 NPY5R (0.42) NPY5RPI4KBMEN1KMT2ASMN1; SMN2
SCHEMBL17090195 0.89 CA2 (0.41) PI4KBMEN1KMT2ASMN1; SMN2ACHE
SCHEMBL13565170 0.89 CA2 (0.41) PI4KBMEN1KMT2ASMN1; SMN2ACHE
SCHEMBL17090418 0.85 GRIA2 (0.42) NPY5RPI4KBMEN1KMT2ASMN1; SMN2
SCHEMBL11935146 0.85 GRIA2 (0.42) NPY5RPI4KBMEN1KMT2ASMN1; SMN2
SCHEMBL10113384 0.81 CSNK2A2 (0.54) NPY5RMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13203876 0.81 CSNK2A2 (0.54) NPY5RMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13565081 0.80 CNR2 (0.39) NPY5RJAK2
SCHEMBL17089941 0.80 CNR2 (0.39) NPY5RJAK2
SCHEMBL11935329 0.79 CA2 (0.40) NPY5RPI4KBMEN1KMT2ASMN1; SMN2

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