SCHEMBL6261972

SCHEMBL6261972

COC(=O)c1cnc(Oc2ccc3c(c2)CCC(C2=CC=C2)NC3)cn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.47
HRH1 P35367 1/20 0.47
FAAH O00519 6/20 0.37
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
JAK3 P52333 3/20 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
SCHEMBL6261967 0.81 HRH3 (0.51) HRH3HRH1FAAHJAK2JAK1
SCHEMBL3089295 0.76 HRH3 (0.55) HRH3HRH1JAK2JAK1JAK3
SCHEMBL3333692 0.76 PDE4B (0.47) HRH3HRH1FAAH
SCHEMBL1873259 0.73 HRH3 (0.64) HRH3HRH1JAK2JAK1JAK3
SCHEMBL3089288 0.72 HRH3 (0.80) HRH3HRH1
SCHEMBL4404051 0.68 HRH3 (0.57) HRH3HRH1FAAH
SCHEMBL3077662 0.68 HRH3 (0.52) HRH3HRH1JAK2JAK3
SCHEMBL22847887 0.68 PDE4B (0.61)
SCHEMBL26077668 0.68 PDE4B (0.48) HRH3HRH1
SCHEMBL3077258 0.67 HRH3 (0.67) HRH3HRH1JAK2JAK1JAK3

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-1572215-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-14 EP disclosed
WO-2004056369-A1 BENZO ‘ D!AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2004-07-08 WO disclosed