SCHEMBL8799146

SCHEMBL8799146

CC(=O)Nc1ccc(OC2CCN(CC3CN(c4ccc(O)cc4)C(=O)O3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.48
F10 P00742 1/20 0.47
GRM2 Q14416 1/20 0.43
POLB P06746 1/20 0.42
ADRB2 P07550 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8799565 1.00 SIGMAR1 (0.48) SIGMAR1F10GRM2POLBADRB2
SCHEMBL8798947 1.00 SIGMAR1 (0.48) SIGMAR1F10GRM2POLBADRB2
SCHEMBL8798977 0.93 SIGMAR1 (0.57) SIGMAR1F10
SCHEMBL8799808 0.93 SIGMAR1 (0.57) SIGMAR1F10
SCHEMBL8798693 0.93 SIGMAR1 (0.57) SIGMAR1F10
SCHEMBL8800302 0.92 SIGMAR1 (0.54) SIGMAR1F10GRM2
SCHEMBL8799208 0.92 SIGMAR1 (0.54) SIGMAR1F10GRM2POLBMAPT
SCHEMBL8798248 0.92 SIGMAR1 (0.54) SIGMAR1F10GRM2POLBMAPT
SCHEMBL9083600 0.92 SIGMAR1 (0.54) SIGMAR1F10GRM2
SCHEMBL8799570 0.92 SIGMAR1 (0.54) SIGMAR1F10GRM2POLBMAPT

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 4 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 claimed
US-5561145-A 4-aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US claimed
EP-0635505-A1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GmbH (DE) 1995-01-25 EP claimed
US-5561145-A 4-aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed