SCHEMBL9101378

SCHEMBL9101378

Cc1nc(N2CCOCC2)sc1-c1ccc2cccc(CCN3CCC[C@H]3C)c2n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.68
KCNH2 Q12809 11/20 0.68
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL1574332 0.81 KCNH2 (1.00) HRH3KCNH2
SCHEMBL9104832 0.80 HRH3 (0.69) HRH3KCNH2
SCHEMBL9107876 0.80 HRH3 (0.69) HRH3KCNH2
SCHEMBL9102435 0.79 HRH3 (0.70) HRH3KCNH2KDM4E
SCHEMBL9105288 0.79 HRH3 (0.57) HRH3KCNH2
SCHEMBL9105208 0.79 HRH3 (0.66) HRH3KCNH2
SCHEMBL9102223 0.79 HRH3 (0.71) HRH3KCNH2
SCHEMBL9101614 0.79 HRH3 (0.69) HRH3KCNH2
SCHEMBL9108354 0.73 HRH3 (0.67) HRH3KCNH2
SCHEMBL9106427 0.72 HRH3 (0.49) 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