SCHEMBL1405586

SCHEMBL1405586

CC1CCCN1CCc1nc2cc(-c3ccc(C(=O)O)cc3)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.62
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PHKG2 P15735 1/20 0.46
RPS6KB1 P23443 1/20 0.46
MARK3 P27448 1/20 0.46
PRKCI P41743 1/20 0.46
CLK2 P49760 1/20 0.46
IRAK1 P51617 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PRKCD Q05655 1/20 0.46
MAP4K2 Q12851 1/20 0.46
STK3 Q13188 1/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
PKN2 Q16513 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46

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
SCHEMBL489216 0.92 HRH3 (0.51) HRH3JAK2ROCK2PRKD3PRKCG
SCHEMBL489217 0.92 HRH3 (0.51) HRH3JAK2ROCK2PRKD3PRKCG
SCHEMBL489601 0.90 HRH3 (0.48) HRH3JAK2ROCK2PRKD3PRKCG
SCHEMBL489495 0.87 HRH3 (0.60) HRH3JAK2ROCK2PRKD3PRKCG
SCHEMBL489494 0.87 HRH3 (0.60) HRH3JAK2ROCK2PRKD3PRKCG
SCHEMBL489050 0.86 JAK2 (0.51) HRH3JAK2ROCK2PRKD3PRKCG
SCHEMBL489051 0.86 JAK2 (0.51) HRH3JAK2ROCK2PRKD3PRKCG
SCHEMBL489115 0.84 KCNH2 (0.50) HRH3
SCHEMBL489116 0.84 KCNH2 (0.50) HRH3
SCHEMBL489417 0.84 JAK2 (0.47) HRH3JAK2ROCK2PRKD3PRKCG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620434-B1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LAB (US) 2011-03-09 EP claimed
EP-2311831-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands Abbott Laboratories (US) 2011-04-20 EP disclosed
EP-1620434-B1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LAB (US) 2011-03-09 EP disclosed
EP-1620434-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2006-02-01 EP disclosed
WO-2004101559-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed