SCHEMBL8659396

SCHEMBL8659396

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

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.43
KCNH2 Q12809 2/20 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
SCHEMBL8662028 1.00 HRH3 (0.43) HRH3KCNH2
SCHEMBL4515708 0.79 HRH3 (0.47) HRH3KCNH2
SCHEMBL4515711 0.79 HRH3 (0.47) HRH3KCNH2
SCHEMBL4515704 0.79 HRH3 (0.47) HRH3KCNH2
SCHEMBL8658687 0.73 HRH3 (0.41) HRH3KCNH2
SCHEMBL5850298 0.73 HTR1A (0.36)
SCHEMBL8661099 0.71 HRH3 (0.46) HRH3KCNH2
SCHEMBL5147309 0.69 PRCP (0.31)
SCHEMBL8657949 0.69 LMNA (0.44) HRH3KCNH2
SCHEMBL8659400 0.68 SIGMAR1 (0.41) HRH3

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