SCHEMBL9105452

SCHEMBL9105452

C[C@@H]1CCCN1CCc1cccc2ccc(-c3csc(-c4ccc(OCC(F)(F)F)nc4)n3)nc12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.72
KCNH2 Q12809 16/20 0.72
SCN9A Q15858 1/20 0.35

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
SCHEMBL1574273 0.84 KCNH2 (1.00) HRH3KCNH2
SCHEMBL9102487 0.82 HRH3 (0.68) HRH3KCNH2
SCHEMBL9104366 0.79 HRH3 (0.69) HRH3KCNH2
SCHEMBL9105336 0.75 HRH3 (0.71) HRH3KCNH2
SCHEMBL9106427 0.75 HRH3 (0.49) HRH3KCNH2
SCHEMBL9104708 0.72 HRH3 (0.43) HRH3KCNH2
SCHEMBL9108632 0.71 HRH3 (0.69) HRH3KCNH2
SCHEMBL9102223 0.68 HRH3 (0.71) HRH3KCNH2
SCHEMBL9104832 0.68 HRH3 (0.69) HRH3KCNH2
SCHEMBL9105288 0.67 HRH3 (0.57) 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