SCHEMBL25910100

SCHEMBL25910100

CC(C)N1CCN(C(=O)[C@H]2N[C@H]2C2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.43
KCNH2 Q12809 4/20 0.43
CYP2D6 P10635 2/20 0.43

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
SCHEMBL25909959 1.00 HRH3 (0.43) HRH3KCNH2CYP2D6
SCHEMBL25910855 0.84 HRH3 (0.34) HRH3KCNH2CYP2D6
SCHEMBL25910504 0.83 HRH3 (0.35) HRH3
SCHEMBL25910506 0.82 HRH3 (0.44) HRH3KCNH2CYP2D6
SCHEMBL29299288 0.81 HRH3 (0.32) HRH3KCNH2CYP2D6
SCHEMBL25910994 0.81 HRH3 (0.35) HRH3KCNH2CYP2D6
SCHEMBL29299287 0.80 HSD11B1 (0.30)
SCHEMBL25910099 0.80 HRH3 (0.48) HRH3KCNH2CYP2D6
SCHEMBL25910515 0.79 HRH3 (0.39) HRH3CYP2D6
SCHEMBL25910088 0.78 EPHX2 (0.35) HRH3CYP2D6

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