SCHEMBL31406209

SCHEMBL31406209

COc1ccccc1CCN1[C@@H]2CCC[C@H]1CC2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.59
SIGMAR1 Q99720 2/20 0.58
KCNH2 Q12809 2/20 0.56
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL4817308 0.77 SLC18A2 (0.62) HRH3SIGMAR1KCNH2
SCHEMBL31406212 0.76 HRH3 (0.51) HRH3KCNH2TAAR1
SCHEMBL3781357 0.74 SIGMAR1 (0.51) SIGMAR1KCNH2
SCHEMBL3781355 0.74 SIGMAR1 (0.51) SIGMAR1KCNH2
SCHEMBL17828187 0.73 SIGMAR1 (0.77) HRH3SIGMAR1KCNH2
SCHEMBL31406184 0.72 HRH3 (0.57) HRH3SIGMAR1
SCHEMBL28858018 0.72 TAAR1 (0.75) HRH3SIGMAR1KCNH2TAAR1
SCHEMBL4817496 0.71 HRH3 (0.49) HRH3TAAR1
SCHEMBL16056564 0.71 KCNH2 (0.78) HRH3SIGMAR1KCNH2
SCHEMBL31406198 0.71 HRH3 (0.61) HRH3SIGMAR1

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-2025014719-A2 TROPANE COMPOUNDS FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-16 WO disclosed