SCHEMBL17090540

SCHEMBL17090540

Cc1c(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)C)CC2)ccc(-c2ccco2)c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.33
BRD4 O60885 2/20 0.33
NPY5R Q15761 5/20 0.33
VCP P55072 1/20 0.32
GLO1 Q04760 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
CKS1B P61024 1/20 0.32
SKP2 Q13309 1/20 0.32
PTGER4 P35408 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIA4 P48058 1/20 0.31

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
SCHEMBL13565137 1.00 GRIA2 (0.33) GRIA2BRD4NPY5RVCPGLO1
SCHEMBL17090187 0.84 GRIA2 (0.35) GRIA2BRD4
SCHEMBL13564938 0.83 GRIA2 (0.38) GRIA2BRD4VCP
SCHEMBL17090037 0.83 GRIA2 (0.38) GRIA2BRD4VCP
SCHEMBL13204429 0.81 ADORA2A (0.41) GRIA2ALDH1A1POLBKDM4EMAPT
SCHEMBL10114931 0.81 ADORA2A (0.41) GRIA2ALDH1A1POLBKDM4EMAPT
SCHEMBL13439241 0.80 PTGER4 (0.37) VCPPTGER4
SCHEMBL11935505 0.80 PTGER4 (0.37) VCPPTGER4
SCHEMBL13565968 0.79 TAAR1 (0.40) GRIA2NPY5RVCP
SCHEMBL17090371 0.79 TAAR1 (0.40) GRIA2NPY5RVCP

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