SCHEMBL14722100

SCHEMBL14722100

C(=C1CCN(C2CCC2)CC1)c1ccc(-c2cnoc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
IRAK4 Q9NWZ3 1/20 0.37
KDM2B Q8NHM5 11/20 0.34
NR1I2 O75469 1/20 0.32
HSD11B1 P28845 1/20 0.32
OGA O60502 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL14722014 0.78 HRH3 (0.41) HRH3IRAK4
SCHEMBL14721988 0.74 KDM2B (0.51) HRH3IRAK4KDM2BKCNH2
SCHEMBL14720608 0.74 HRH3 (0.43) HRH3KCNH2
SCHEMBL14720518 0.73 HRH3 (0.46) HRH3
SCHEMBL14721566 0.73 BRD4 (0.52) HRH3HSD11B1
SCHEMBL14722041 0.73 HRH3 (0.52) HRH3NR1I2
SCHEMBL14722914 0.73 MAOA (0.39) HRH3NR1I2
SCHEMBL14722166 0.73 CYP11B2 (0.42) HRH3IRAK4KDM2BKCNH2
SCHEMBL14730970 0.72 ACHE (0.42) HRH3KCNH2
SCHEMBL14722409 0.71 NAMPT (0.38) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026453-A1 TREATMENT OF INFLAMMATORY DISORDERS WITH ANTHRACYCLINES VALDERM APS (DK) 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 claimed
WO-2013026454-A1 TREATMENT OF CLINICAL CONDITIONS WITH ANTHRACYCLINES VALDERM APS (DK) 2013-02-28 WO claimed
WO-2013026454-A1 TREATMENT OF CLINICAL CONDITIONS WITH ANTHRACYCLINES VALDERM APS (DK) 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
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
WO-2013026453-A1 TREATMENT OF INFLAMMATORY DISORDERS WITH ANTHRACYCLINES VALDERM APS (DK) 2013-02-28 WO disclosed