SCHEMBL13565002

SCHEMBL13565002

CC(C)S(=O)(=O)NC1CCC(CNc2ccc3c(c2)CCC3=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.40
GRIA2 P42262 7/20 0.38
NPY5R Q15761 5/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPK14 Q16539 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
SCHEMBL13565087 0.88 GRIA2 (0.37) GRIA2NPY5RCYP3A4CYP2C8
SCHEMBL13565403 0.85 GPR119 (0.44) GPR119NPY5RBAZ2BMKNK1MAPK14
SCHEMBL17090302 0.85 GPR119 (0.44) GPR119NPY5RBAZ2BMKNK1MAPK14
SCHEMBL11935136 0.83 NPY5R (0.41) GRIA2NPY5RCYP3A4CYP2C8
SCHEMBL11936151 0.83 NPY5R (0.41) GRIA2NPY5RCYP3A4CYP2C8
SCHEMBL13565430 0.82 PARG (0.47) GRIA2NPY5RCYP3A4
SCHEMBL17090115 0.80 CNR2 (0.48) GRIA2
SCHEMBL17090535 0.80 GRIA2 (0.44) GRIA2
SCHEMBL13565168 0.80 GRIA2 (0.44) GRIA2
SCHEMBL11935401 0.80 CNR2 (0.39) GRIA2NPY5R

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