SCHEMBL14720799

SCHEMBL14720799

COC1CCCC(O)(c2ccc(C=C3CCN(C4CCC4)CC3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
CCR1 P32246 6/20 0.32
HTR1D P28221 1/20 0.31
SLC18A3 Q16572 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
SCHEMBL14720519 0.97 HRH3 (0.34) HRH3CCR1HTR1DSLC18A3
SCHEMBL14721393 0.95 HRH3 (0.36) HRH3CCR1HTR1DSLC18A3
SCHEMBL14721517 0.94 HRH3 (0.32) HRH3CCR1HTR1DSLC18A3
SCHEMBL14720611 0.94 HRH3 (0.32) HRH3CCR1HTR1DSLC18A3
SCHEMBL14720610 0.94 HRH3 (0.32) HRH3CCR1HTR1DSLC18A3
SCHEMBL14721390 0.93 DRD1 (0.33) HRH3CCR1
SCHEMBL14720569 0.89 HRH3 (0.34) HRH3CCR1SLC18A3
SCHEMBL14721332 0.86 HRH3 (0.39) HRH3CCR1SLC18A3
SCHEMBL14720774 0.85 HRH3 (0.40) HRH3CCR1SLC18A3
SCHEMBL14720880 0.85 POLB (0.34) HRH3CCR1HTR1D

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