SCHEMBL8799705

SCHEMBL8799705

COc1ccc(N2CC(CCN3CCC(Oc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.56
SIGMAR1 Q99720 7/20 0.54
HTR7 P34969 2/20 0.47

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 0.96 GRM2 (0.59) GRM2SIGMAR1HTR7
SCHEMBL8799627 0.94 GRM2 (0.59) GRM2SIGMAR1HTR7
SCHEMBL8799189 0.93 GRM2 (0.56) GRM2SIGMAR1HTR7
SCHEMBL8799299 0.92 GRM2 (0.54) GRM2SIGMAR1HTR7
SCHEMBL8799811 0.92 GRM2 (0.55) GRM2SIGMAR1
SCHEMBL8799739 0.91 GRM2 (0.54) GRM2SIGMAR1HTR7
SCHEMBL8798501 0.91 SIGMAR1 (0.56) GRM2SIGMAR1HTR7
SCHEMBL9087827 0.91 SIGMAR1 (0.56) GRM2SIGMAR1HTR7
SCHEMBL8800469 0.90 SIGMAR1 (0.66) GRM2SIGMAR1
SCHEMBL8799071 0.90 GRM2 (0.63) GRM2SIGMAR1HTR7

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