SCHEMBL9105842

SCHEMBL9105842

C[C@@H]1CCCN1CCc1cccc2ccc(-c3cc(-c4ccccc4)no3)nc12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.52
KCNH2 Q12809 12/20 0.52

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
SCHEMBL9103690 0.92 HRH3 (0.50) HRH3KCNH2
SCHEMBL9101736 0.82 HRH3 (0.69) HRH3KCNH2
SCHEMBL1574381 0.81 KCNH2 (0.78) HRH3KCNH2
SCHEMBL9102487 0.80 HRH3 (0.68) HRH3KCNH2
SCHEMBL9107864 0.80 HRH3 (0.42) HRH3KCNH2
SCHEMBL9105336 0.78 HRH3 (0.71) HRH3KCNH2
SCHEMBL9105384 0.76 HRH3 (0.69) HRH3KCNH2
SCHEMBL9104585 0.74 HRH3 (0.69) HRH3KCNH2
SCHEMBL9106236 0.74 HRH3 (0.66) HRH3KCNH2
SCHEMBL1574457 0.73 KCNH2 (0.75) 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-1751149-B1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LAB (US) 2012-06-06 EP claimed