SCHEMBL13564985

SCHEMBL13564985

Cc1cc(-c2ncco2)ccc1NCCCCCNS(=O)(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.41
GRIA1 P42261 3/20 0.40
EDNRA P25101 5/20 0.34
EDNRB P24530 4/20 0.34
TTK P33981 1/20 0.34
HTR1A P08908 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL13565222 0.88 GRIA4 (0.34) NPY5RGRIA1EDNRAEDNRBTTK
SCHEMBL13565650 0.85 TTK (0.37) EDNRAEDNRBTTKHTR1AADRA1D
SCHEMBL10115480 0.85 SMN1; SMN2 (0.42)
SCHEMBL13565516 0.84 GRIA1 (0.44) NPY5RGRIA1EDNRAEDNRBLIPC
SCHEMBL11935700 0.81 FERMT2 (0.40) TTKHTR1AADRA1DADRA1AADRA1B
SCHEMBL13565290 0.79 TTK (0.36) EDNRAEDNRBTTKLIPCLIPG
SCHEMBL17090484 0.78 EDNRA (0.35) EDNRAEDNRBTTK
SCHEMBL13565946 0.78 PPARA (0.37) EDNRAEDNRB
SCHEMBL11935710 0.78 TTK (0.35) EDNRAEDNRBTTKHTR1AADRA1D
SCHEMBL17090429 0.75 GRIA2 (0.41) TTK

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