SCHEMBL13565367

SCHEMBL13565367

CC(C)S(=O)(=O)Nc1ccc(CNc2cccc(OCC3CC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.40
ACACB O00763 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
DUT P33316 2/20 0.40
NAMPT P43490 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
PARP1 P09874 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL13565843 0.88 ADRB2 (0.43) ACACBADRB2ADRB1ADRB3
SCHEMBL11936016 0.85 PPARA (0.40) ACACANR1H4KDM5AKDM4CDUT
SCHEMBL13566063 0.83 ADRB2 (0.37) ACACAACACBKDM5AKDM4CADRB2
SCHEMBL13565305 0.83 HDAC4 (0.49) DUTPARP1
SCHEMBL13105267 0.82 HDAC4 (0.48) DUTPARP1
SCHEMBL10116696 0.81 NR1H4 (0.58) NR1H4
SCHEMBL11936123 0.78 NR1H4 (0.44) NR1H4KDM5AKDM4C
SCHEMBL11935831 0.77 DUT (0.42) ACACAACACBNR1H4DUTHTR1A
SCHEMBL17090369 0.77 ACACA (0.41) ACACAACACBNR1H4DUT
SCHEMBL13565998 0.77 ACACA (0.41) ACACAACACBNR1H4DUT

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