SCHEMBL9104585

SCHEMBL9104585

Cc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cccc(CCN3CCC[C@H]3C)c2n1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.69
KCNH2 Q12809 7/20 0.69
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9101736 0.92 HRH3 (0.69) HRH3KCNH2
SCHEMBL9103690 0.83 HRH3 (0.50) HRH3KCNH2
SCHEMBL1574277 0.81 KCNH2 (1.00) HRH3KCNH2
SCHEMBL9105288 0.79 HRH3 (0.57) HRH3KCNH2
SCHEMBL9105384 0.78 HRH3 (0.69) HRH3KCNH2
SCHEMBL9105842 0.74 HRH3 (0.52) HRH3KCNH2
SCHEMBL1574403 0.74 KCNH2 (1.00) HRH3KCNH2
SCHEMBL9107206 0.72 HRH3 (0.45) HRH3KCNH2
SCHEMBL9104708 0.72 HRH3 (0.43) HRH3KCNH2
SCHEMBL9103647 0.71 HRH3 (0.68) 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