SCHEMBL8798248

SCHEMBL8798248

CC(=O)Nc1ccc(OC2CCN(C[C@H]3CN(c4ccc(Cl)cc4)C(=O)O3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.54
F10 P00742 1/20 0.51
ACACB O00763 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM2 Q14416 1/20 0.44

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
SCHEMBL8799570 1.00 SIGMAR1 (0.54) SIGMAR1F10ACACBPOLBLMNA
SCHEMBL8799208 1.00 SIGMAR1 (0.54) SIGMAR1F10ACACBPOLBLMNA
SCHEMBL8799808 0.92 SIGMAR1 (0.57) SIGMAR1F10
SCHEMBL8799565 0.92 SIGMAR1 (0.48) SIGMAR1F10POLBMAPTSMN1; SMN2
SCHEMBL8798947 0.92 SIGMAR1 (0.48) SIGMAR1F10POLBMAPTSMN1; SMN2
SCHEMBL8799146 0.92 SIGMAR1 (0.48) SIGMAR1F10POLBMAPTSMN1; SMN2
SCHEMBL8798977 0.92 SIGMAR1 (0.57) SIGMAR1F10
SCHEMBL8798693 0.92 SIGMAR1 (0.57) SIGMAR1F10
SCHEMBL9083600 0.91 SIGMAR1 (0.54) SIGMAR1F10LMNAGRM2
SCHEMBL8800302 0.91 SIGMAR1 (0.54) SIGMAR1F10LMNAGRM2

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