SCHEMBL8798501

SCHEMBL8798501

COc1ccc(N2CC(CCN3CCC(Oc4ccc(F)cc4)CC3)OC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.56
GRM2 Q14416 3/20 0.54
HTR7 P34969 3/20 0.46

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
SCHEMBL8801934 0.95 GRM2 (0.59) SIGMAR1GRM2HTR7
SCHEMBL8800497 0.94 GRM2 (0.58) SIGMAR1GRM2HTR7
SCHEMBL8799189 0.92 GRM2 (0.56) SIGMAR1GRM2HTR7
SCHEMBL8799705 0.91 GRM2 (0.56) SIGMAR1GRM2HTR7
SCHEMBL9087827 0.90 SIGMAR1 (0.56) SIGMAR1GRM2HTR7
SCHEMBL8799739 0.90 GRM2 (0.54) SIGMAR1GRM2HTR7
SCHEMBL8798745 0.90 SIGMAR1 (0.68) SIGMAR1GRM2
SCHEMBL8799384 0.90 SIGMAR1 (0.68) SIGMAR1GRM2
SCHEMBL8799071 0.89 GRM2 (0.63) SIGMAR1GRM2HTR7
SCHEMBL8799299 0.87 GRM2 (0.54) SIGMAR1GRM2HTR7

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