SCHEMBL14720514

SCHEMBL14720514

O=C(NCC1CCOC1)c1ccc(C=C2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.47
HRH3 Q9Y5N1 2/20 0.43
MCHR1 Q99705 1/20 0.39

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
SCHEMBL14721918 0.87 HDAC6 (0.47) NAMPTHRH3MCHR1
SCHEMBL14720412 0.82 NAMPT (0.44) NAMPTHRH3
SCHEMBL1787578 0.82 NAMPT (0.51) NAMPTHRH3
SCHEMBL1791888 0.77 NAMPT (0.53) NAMPTHRH3
SCHEMBL14720532 0.76 HRH3 (0.36) HRH3MCHR1
SCHEMBL14720634 0.76 ALDH1A1 (0.39) HRH3
SCHEMBL14720988 0.75 SRD5A2 (0.49) HRH3
SCHEMBL1790106 0.75 HRH3 (0.50) NAMPTHRH3
SCHEMBL14720817 0.75 SRD5A2 (0.43) HRH3
SCHEMBL14720738 0.74 HRH3 (0.42) HRH3

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
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO claimed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed