SCHEMBL8800350

SCHEMBL8800350

COc1ccc(N2C[C@H](CN3CCC(S(=O)(=O)c4ccc(C)cc4)CC3)OC2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.66

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
SCHEMBL8800586 0.96 SIGMAR1 (0.64) SIGMAR1
SCHEMBL8799463 0.96 SIGMAR1 (0.64) SIGMAR1
SCHEMBL9087304 0.91 SIGMAR1 (0.67) SIGMAR1
SCHEMBL8799373 0.91 SIGMAR1 (0.67) SIGMAR1
SCHEMBL9084098 0.90 SIGMAR1 (0.57) SIGMAR1
SCHEMBL8800378 0.90 SIGMAR1 (0.57) SIGMAR1
SCHEMBL8799330 0.87 SIGMAR1 (0.56) SIGMAR1
SCHEMBL8798538 0.82 SIGMAR1 (0.65) SIGMAR1
SCHEMBL8798326 0.82 SIGMAR1 (0.65) SIGMAR1
SCHEMBL8800192 0.79 SIGMAR1 (0.66) 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