SCHEMBL8798326

SCHEMBL8798326

COc1ccc(N2C[C@H](CN3CCC(Sc4ccc(C)cc4)CC3)OC2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.65
GRM2 Q14416 1/20 0.49

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
SCHEMBL8798538 1.00 SIGMAR1 (0.65) SIGMAR1GRM2
SCHEMBL8799898 0.96 SIGMAR1 (0.62) SIGMAR1GRM2
SCHEMBL9085831 0.96 SIGMAR1 (0.62) SIGMAR1GRM2
SCHEMBL8799641 0.91 SIGMAR1 (0.65) SIGMAR1GRM2
SCHEMBL8800626 0.91 SIGMAR1 (0.65) SIGMAR1GRM2
SCHEMBL9084108 0.90 SIGMAR1 (0.55) SIGMAR1GRM2
SCHEMBL8799060 0.90 SIGMAR1 (0.55) SIGMAR1GRM2
SCHEMBL8799161 0.86 SIGMAR1 (0.54) SIGMAR1
SCHEMBL8800350 0.82 SIGMAR1 (0.66) SIGMAR1
SCHEMBL8800192 0.80 SIGMAR1 (0.66) SIGMAR1GRM2

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