SCHEMBL4792525

SCHEMBL4792525

CN1CCN(CCc2ccc(N)cc2)CC1.O=[N+]([O-])c1ccc(CCBr)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 0.66
KCNH2 Q12809 15/20 0.66
HRH3 Q9Y5N1 1/20 0.59
SIGMAR1 Q99720 2/20 0.55
MAOA P21397 1/20 0.50

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
SCHEMBL3526680 0.87 KCNJ1 (0.87) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL2481337 0.82 LMNA (0.71) KCNJ1KCNH2
SCHEMBL2731306 0.81 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL1509554 0.80 LMNA (0.70) KCNJ1KCNH2HRH3SIGMAR1
SCHEMBL5763269 0.77 KCNJ1 (0.84) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL2723230 0.77 KCNJ1 (0.84) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL5653299 0.75 HRH3 (0.93) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL3156895 0.75 HRH3 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL77658 0.75 TSHR (0.64) KCNJ1KCNH2HRH3
SCHEMBL286800 0.74 KCNJ1 (0.84) KCNJ1KCNH2HRH3SIGMAR1MAOA

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
EP-1937681-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
WO-2007033232-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 WO disclosed