SCHEMBL9105208

SCHEMBL9105208

Cc1nc(N2CCOCC2)sc1-c1nc2ccccc2cc1CCN1CCC[C@H]1C

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.66
KCNH2 Q12809 16/20 0.66

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
SCHEMBL1574332 0.79 KCNH2 (1.00) HRH3KCNH2
SCHEMBL9101378 0.79 HRH3 (0.68) HRH3KCNH2
SCHEMBL6446409 0.78 HRH3 (0.68) HRH3KCNH2
SCHEMBL1639515 0.65 KCNH2 (1.00) HRH3KCNH2
SCHEMBL1640942 0.62 HRH3 (0.66) HRH3KCNH2
SCHEMBL1574345 0.62 KCNH2 (1.00) HRH3KCNH2
SCHEMBL489011 0.61 HRH3 (0.52) HRH3KCNH2
SCHEMBL489012 0.61 HRH3 (0.52) HRH3KCNH2
SCHEMBL24568821 0.61 HRH3 (0.47) HRH3KCNH2
SCHEMBL24568812 0.61 HRH3 (0.47) 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 disclosed