SCHEMBL8661099

SCHEMBL8661099

C[C@@H]1CC(O)CCN1CCc1cncnc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.46
KCNH2 Q12809 2/20 0.41

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
SCHEMBL4513431 0.79 GBA1 (0.52) HRH3
SCHEMBL22668719 0.79 GBA1 (0.52) HRH3
SCHEMBL14660575 0.79 GBA1 (0.52) HRH3
SCHEMBL22668707 0.75 HRH3 (0.41) HRH3KCNH2
SCHEMBL22668731 0.75 HRH3 (0.53) HRH3KCNH2
SCHEMBL22669020 0.74 HRH3 (0.43) HRH3KCNH2
SCHEMBL22669022 0.72 HRH3 (0.52) HRH3KCNH2
SCHEMBL22669014 0.71 HRH3 (0.51) HRH3
SCHEMBL8662028 0.71 HRH3 (0.43) HRH3KCNH2
SCHEMBL22668976 0.71 SIGMAR1 (0.63)

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
US-5756508-A Muscarine antagonists MERCK & CO., INC. (US) 1998-05-26 US disclosed