SCHEMBL6162059

SCHEMBL6162059

CC(=O)Nc1ccc(CC2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 1/20 0.49
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL9562382 0.85 NAMPT (0.46) NAMPTKDM4EALDH1A1
SCHEMBL17553578 0.84 CHRNB2 (0.49) SMN1; SMN2NAMPTMAPTKDM4EALDH1A1
SCHEMBL27501271 0.82 GBA1 (0.49) GBA1
SCHEMBL5839598 0.81 GBA1 (0.47) GBA1
SCHEMBL30136036 0.81 CYP17A1 (0.49) GBA1NAMPTMAPT
SCHEMBL16787788 0.80 GBA1 (0.56) GBA1SMN1; SMN2POLBALDH1A1
SCHEMBL8648753 0.80 GBA1 (0.56) GBA1POLBMAPTNPSR1ALDH1A1
SCHEMBL30135893 0.78 RAB9A (0.53) SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL16653885 0.77 SLC6A2 (0.52) SMN1; SMN2NAMPTMAPTKDM4EALDH1A1
SCHEMBL10127506 0.76 NAMPT (0.59) NAMPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089735-B1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-06-08 EP disclosed
EP-0763535-B1 Piperidinylmethyloxazolidin-2-one derivatives, their preparation and their use as pharmacological active CNS compounds MERCK PATENT GMBH (DE) 2002-11-27 EP disclosed
US-6284774-B1 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-09-04 US disclosed
CN-1304307-A 4-benzyl piperidine alkylsulfoxide heterocycles and their use as subtype-selective NMDA receptor antagonists WARNER LAMBER CO (US) 2001-07-18 CN disclosed
US-5714502-A Piperidinylmethyloxazolidinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-02-03 US disclosed
EP-0763535-A1 Piperidinylmethyloxazolidin-2-one derivatives, their preparation and their use as pharmacological active CNS compounds MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed