SCHEMBL9306849

SCHEMBL9306849

c1ccc2c(c1)CCC1CN(C3C4CC5CC(C4)CC3C5)CCC21

nearest known ligand 0.97

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.97

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
SCHEMBL9308016 1.00 SIGMAR1 (0.97) SIGMAR1
SCHEMBL14068035 0.89 SIGMAR1 (0.78) SIGMAR1
SCHEMBL9306801 0.78 SIGMAR1 (0.97) SIGMAR1
SCHEMBL9306791 0.78 SIGMAR1 (0.97) SIGMAR1
SCHEMBL9306789 0.78 SIGMAR1 (0.97) SIGMAR1
SCHEMBL9308019 0.77 SIGMAR1 (0.97) SIGMAR1
SCHEMBL9309676 0.77 SIGMAR1 (0.97) SIGMAR1
SCHEMBL9307181 0.74 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9307179 0.74 SIGMAR1 (1.00) SIGMAR1
SCHEMBL29016989 0.74 SIGMAR1 (0.68) SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410535-A2 Octahydrobenzisoquinoline derivatives as antipsychotic agents MERCK SHARP & DOHME LTD. (GB) 1991-01-30 EP claimed
US-5294618-A Psychological disorders MERCK SHARP & DOHME LIMITED (GB) 1994-03-15 US disclosed
EP-0410535-A2 Octahydrobenzisoquinoline derivatives as antipsychotic agents MERCK SHARP & DOHME LTD. (GB) 1991-01-30 EP disclosed