SCHEMBL14731111

SCHEMBL14731111

CCCCN1CCC(=Cc2ccc(C3(O)CCCC(OC)CC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A1 P30531 1/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A11 P48066 1/20 0.34
SIGMAR1 Q99720 4/20 0.34
CCR1 P32246 2/20 0.34
EBP Q15125 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
SCHEMBL14731171 0.84 FLT3 (0.35)
SCHEMBL14720799 0.82 HRH3 (0.32) HRH3CCR1
SCHEMBL14720741 0.81 OPRM1 (0.44) SIGMAR1
SCHEMBL14721393 0.78 HRH3 (0.36) HRH3MEN1KMT2ACCR1
SCHEMBL14720519 0.78 HRH3 (0.34) HRH3CCR1
SCHEMBL14721083 0.77 OPRM1 (0.34) HRH3
SCHEMBL14721517 0.76 HRH3 (0.32) HRH3CCR1
SCHEMBL14720611 0.76 HRH3 (0.32) HRH3CCR1
SCHEMBL14720610 0.76 HRH3 (0.32) HRH3CCR1
SCHEMBL14721390 0.74 DRD1 (0.33) HRH3CCR1

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