SCHEMBL25910099

SCHEMBL25910099

CC(C)N1CCN(C(=O)[C@@H]2N[C@H]2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.48
KCNH2 Q12809 4/20 0.44
CYP2D6 P10635 2/20 0.44

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
SCHEMBL25910100 0.80 HRH3 (0.43) HRH3KCNH2CYP2D6
SCHEMBL25909959 0.80 HRH3 (0.43) HRH3KCNH2CYP2D6
SCHEMBL9510112 0.78 HPGD (0.46)
SCHEMBL25911208 0.76 HRH3 (0.45) HRH3KCNH2CYP2D6
SCHEMBL104632 0.75 HRH3 (0.63) HRH3KCNH2CYP2D6
SCHEMBL13741169 0.74 HRH3 (0.50) HRH3KCNH2CYP2D6
SCHEMBL14453913 0.73 HRH3 (0.66) HRH3KCNH2CYP2D6
SCHEMBL23312164 0.72 HRH3 (0.45) HRH3KCNH2CYP2D6
SCHEMBL24313176 0.72 HRH3 (0.45) HRH3KCNH2CYP2D6
SCHEMBL20315424 0.72 ALDH1A1 (0.67) HRH3KCNH2CYP2D6

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
WO-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO disclosed