SCHEMBL7857089

SCHEMBL7857089

CC(C1CCC1)N1CCC2(CC1)Cc1cc(-c3ccc(N)cc3)ccc1O2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.36
GPR119 Q8TDV5 2/20 0.34
CYP2D6 P10635 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
SCHEMBL10191767 0.90 HRH3 (0.36) HRH3GPR119
SCHEMBL864606 0.89 GPR119 (0.38) HRH3GPR119
SCHEMBL10191726 0.87 GPR119 (0.39) HRH3GPR119
SCHEMBL863863 0.86 OTUD7B (0.37) HRH3GPR119KCNH2
SCHEMBL864124 0.83 OTUD7B (0.41) GPR119
SCHEMBL10191763 0.83 KDM4E (0.40) HRH3
SCHEMBL10191787 0.83 HRH3 (0.33) HRH3GPR119
SCHEMBL10246786 0.82 HRH3 (0.38) HRH3KCNH2
SCHEMBL863262 0.82 HRH3 (0.38) HRH3
SCHEMBL863631 0.82 CREBBP (0.39) HRH3CYP2D6

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-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO disclosed