SCHEMBL31406198

SCHEMBL31406198

COc1cccc(CCN2[C@@H]3CCC[C@H]2CC3)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.61
SIGMAR1 Q99720 2/20 0.60
HTR1A P08908 1/20 0.51
SLC6A4 P31645 1/20 0.51

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
SCHEMBL31406184 0.82 HRH3 (0.57) HRH3SIGMAR1
SCHEMBL4809381 0.78 SLC18A2 (0.65) HRH3SIGMAR1
SCHEMBL31406204 0.78 SLC6A3 (0.58) HRH3SIGMAR1SLC6A4
SCHEMBL27751179 0.76 HRH3 (0.89) HRH3SIGMAR1
SCHEMBL10669091 0.76 HRH3 (1.00) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL29966756 0.76 EED (0.56) HRH3SIGMAR1
SCHEMBL17294993 0.75 HRH3 (0.97) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL17297948 0.74 SIGMAR1 (0.78) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL18744300 0.74 SIGMAR1 (0.72) HRH3SIGMAR1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL11149955 0.74 LMNA (0.49) HRH3SIGMAR1HTR1ASLC6A4

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