SCHEMBL14722014

SCHEMBL14722014

Cn1cc(-c2ccc(C=C3CCN(C4CCC4)CC3)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
RET P07949 1/20 0.40
GSK3B P49841 7/20 0.39
DYRK1A Q13627 7/20 0.39
WNT1 P04628 6/20 0.39
CHRM1 P11229 1/20 0.39
ACVR1 Q04771 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
LRRK2 Q5S007 1/20 0.36
MET P08581 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM1A O60341 2/20 0.35
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 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
SCHEMBL14722409 0.83 NAMPT (0.38) HRH3LRRK2USP30BRD4CREBBP
SCHEMBL14720793 0.82 IRAK4 (0.41) HRH3RETGSK3BDYRK1AWNT1
SCHEMBL14722166 0.81 CYP11B2 (0.42) HRH3IRAK4BRD4CREBBP
SCHEMBL14723074 0.79 HRH3 (0.37) HRH3RET
SCHEMBL14721988 0.79 KDM2B (0.51) HRH3ACVR1IRAK4BRD4CREBBP
SCHEMBL14723076 0.78 HRH3 (0.36) HRH3CHRM1
SCHEMBL14722100 0.78 HRH3 (0.41) HRH3IRAK4
SCHEMBL14722714 0.75 HRH3 (0.41) HRH3BRD4CREBBP
SCHEMBL14720608 0.74 HRH3 (0.43) HRH3
SCHEMBL14720398 0.74 HRH3 (0.45) 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 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