SCHEMBL8799473

SCHEMBL8799473

COc1ccc(N2C[C@H](CN3CCC(Oc4ccc(N)cc4)CC3)OC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.62
GRM2 Q14416 2/20 0.53

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
SCHEMBL9085473 1.00 SIGMAR1 (0.62) SIGMAR1GRM2
SCHEMBL8799296 0.97 SIGMAR1 (0.66) SIGMAR1GRM2
SCHEMBL8800192 0.97 SIGMAR1 (0.66) SIGMAR1GRM2
SCHEMBL9086861 0.93 SIGMAR1 (0.66) SIGMAR1GRM2
SCHEMBL8800469 0.93 SIGMAR1 (0.66) SIGMAR1GRM2
SCHEMBL9087405 0.92 SIGMAR1 (0.63) SIGMAR1GRM2
SCHEMBL8798142 0.92 SIGMAR1 (0.63) SIGMAR1GRM2
SCHEMBL8799384 0.92 SIGMAR1 (0.68) SIGMAR1GRM2
Hydrochloric Acid SCHEMBL8799278 0.92 SIGMAR1 (0.65) SIGMAR1GRM2
SCHEMBL8799420 0.92 SIGMAR1 (0.68) 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