SCHEMBL8799329

SCHEMBL8799329

COc1ccc(N2CC(CN3CCC(Oc4ccc5c(c4)OCO5)CC3)OC2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.77

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
SCHEMBL8799851 1.00 SIGMAR1 (0.77) SIGMAR1
SCHEMBL8799983 0.91 SIGMAR1 (0.64) SIGMAR1
SCHEMBL8801480 0.89 SIGMAR1 (0.62) SIGMAR1
SCHEMBL8799296 0.88 SIGMAR1 (0.66) SIGMAR1
SCHEMBL8800192 0.88 SIGMAR1 (0.66) SIGMAR1
SCHEMBL7300307 0.87 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8799075 0.87 SIGMAR1 (0.60) SIGMAR1
SCHEMBL8799569 0.87 SIGMAR1 (0.60) SIGMAR1
SCHEMBL8799473 0.85 SIGMAR1 (0.62) SIGMAR1
SCHEMBL9085473 0.85 SIGMAR1 (0.62) 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-0635505-B1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GMBH (DE) 1997-10-15 EP disclosed
US-5561145-A 4-aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed
EP-0635505-A1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GmbH (DE) 1995-01-25 EP disclosed