SCHEMBL3369868

SCHEMBL3369868

N#Cc1cnc(OC2CCN(C3CCC3)CC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.45
KCNH2 Q12809 3/20 0.43
CHRM4 P08173 2/20 0.37
MAP3K12 Q12852 1/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
ABL2 P42684 1/20 0.36

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
SCHEMBL3369564 0.82 HRH3 (0.45) HRH3KCNH2CHRM4MAP3K12
SCHEMBL4229745 0.78 HRH3 (0.60) HRH3KCNH2
SCHEMBL3369567 0.77 HRH3 (0.49) HRH3KCNH2MAP3K12
SCHEMBL3369520 0.75 HRH3 (0.47) HRH3KCNH2
SCHEMBL3369618 0.72 HRH3 (0.44) HRH3KCNH2
SCHEMBL3372217 0.70 HRH3 (0.47) HRH3KCNH2MAP3K12
SCHEMBL2540319 0.70 HRH3 (0.63) HRH3KCNH2
SCHEMBL738339 0.69 HRH3 (0.57) HRH3KCNH2
SCHEMBL2005954 0.69 HRH3 (0.57) HRH3KCNH2
SCHEMBL2538399 0.68 HRH3 (0.60) HRH3KCNH2

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-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed