SCHEMBL14720880

SCHEMBL14720880

CCOC1CCC(O)(c2ccc(C=C3CCN(C4CCC4)CC3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
HCRTR2 O43614 1/20 0.33
PKM P14618 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
CCR1 P32246 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TACR1 P25103 1/20 0.31
TACR2 P21452 1/20 0.31
HTR1D P28221 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 0.88 HRH3 (0.34) HRH3CCR1HTR1D
SCHEMBL14721393 0.86 HRH3 (0.36) HRH3OPRM1OPRL1CCR1HTR1D
SCHEMBL14720611 0.85 HRH3 (0.32) HRH3CCR1HTR1D
SCHEMBL14721334 0.85 OPRM1 (0.35) HRH3OPRM1OPRK1OPRL1CCR1
SCHEMBL14720610 0.85 HRH3 (0.32) HRH3CCR1HTR1D
SCHEMBL14720799 0.85 HRH3 (0.32) HRH3CCR1HTR1D
SCHEMBL14721517 0.85 HRH3 (0.32) HRH3CCR1HTR1D
SCHEMBL14721332 0.84 HRH3 (0.39) HRH3OPRM1OPRL1CCR1
SCHEMBL14720855 0.84 POLB (0.40) POLBPKMLMNAMAPT
SCHEMBL14721633 0.83 HRH3 (0.36) HRH3OPRM1OPRK1OPRL1CCR1

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 3 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
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed