SCHEMBL4869797

SCHEMBL4869797

c1cc(N2CCCCC2)co1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
ALOX15 P16050 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHKA P35790 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7863204 0.98 CHKA (0.43) ALDH1A1MAPTALOX15L3MBTL1KDM4E
SCHEMBL4138501 0.78 ALDH1A1 (0.31) ALDH1A1MAPTALOX15KDM4EMEN1
SCHEMBL7400905 0.78 ADRB1 (0.52) ALDH1A1MAPTKDM4EHTTTP53
Hydrochloric Acid SCHEMBL21247013 0.77 ADRB1 (0.50) MAPTHTTTP53THRBLMNA
SCHEMBL30748554 0.75 LRRK2 (0.36) KDM4EUSP2
SCHEMBL6887590 0.72 ALDH1A1 (0.71) ALDH1A1MAPTALOX15L3MBTL1KDM4E
SCHEMBL28541808 0.69 MAPT (0.40) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL2174173 0.68 ALDH1A1 (0.67) ALDH1A1MAPTALOX15L3MBTL1KDM4E
SCHEMBL6245150 0.67 LMNA (0.60) ALDH1A1MAPTALOX15L3MBTL1KDM4E
SCHEMBL9092806 0.67 LMNA (0.60) ALDH1A1MAPTALOX15L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448200-A2 (4-PHENYL)PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP claimed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed
US-7338965-B2 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines PHARMACIA & UPJOHN COMPANY (US) 2008-03-04 US disclosed
EP-1448200-A2 (4-PHENYL)PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP disclosed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed