SCHEMBL1405591

SCHEMBL1405591

C[C@@H]1CCCN1CCc1nc2cc(-c3ccc(F)nc3)ccc2s1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.46
KCNH2 Q12809 17/20 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
SCHEMBL1405590 1.00 HRH3 (0.46) HRH3KCNH2
SCHEMBL488984 0.92 HRH3 (0.46) HRH3KCNH2
SCHEMBL488983 0.92 HRH3 (0.46) HRH3KCNH2
SCHEMBL489137 0.88 HRH3 (0.47) HRH3KCNH2
SCHEMBL489138 0.88 HRH3 (0.47) HRH3KCNH2
SCHEMBL1405634 0.85 HRH3 (0.56) HRH3KCNH2
SCHEMBL1405633 0.85 HRH3 (0.56) HRH3KCNH2
SCHEMBL489320 0.85 HRH3 (0.52) HRH3KCNH2
SCHEMBL489319 0.85 HRH3 (0.52) HRH3KCNH2
SCHEMBL6704594 0.84 HRH3 (0.58) 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 1 patent. 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