SCHEMBL4735912

SCHEMBL4735912

Nc1nc(N2C[CH]CC2)c2oc3ccc(Cl)cc3c2n1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 20/20 0.71
HRH3 Q9Y5N1 1/20 0.62

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
SCHEMBL18486264 0.86 HRH4 (0.72) HRH4HRH3
SCHEMBL14308928 0.86 HRH4 (0.81) HRH4HRH3
SCHEMBL603480 0.83 HRH4 (1.00) HRH4HRH3
SCHEMBL605877 0.83 HRH4 (1.00) HRH4HRH3
SCHEMBL603973 0.82 HRH4 (0.69) HRH4
SCHEMBL605030 0.82 HRH4 (0.88) HRH4HRH3
SCHEMBL601862 0.81 HRH4 (1.00) HRH4HRH3
SCHEMBL604725 0.80 HRH4 (0.78) HRH4HRH3
SCHEMBL605527 0.80 HRH4 (1.00) HRH4HRH3
SCHEMBL603445 0.80 HRH4 (1.00) HRH4HRH3

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-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed