SCHEMBL7580182

SCHEMBL7580182

O=C(OC(Cc1ccc2ccccc2c1)C1CCCCN1C(=O)O)c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
LTA4H P09960 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
REN P00797 1/20 0.41
PPARG P37231 1/20 0.41
PSMB1 P20618 2/20 0.41
PSMB5 P28074 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6043926 0.76 REN (0.51) ALDH1A1KDM4EHPGDREN
SCHEMBL6043121 0.71 CASR (0.47) ALDH1A1GAA
SCHEMBL7585763 0.69 REN (0.41) ALDH1A1REN
SCHEMBL6042963 0.68 MCHR1 (0.41) MAPTALDH1A1SMN1; SMN2GAAREN
SCHEMBL6043085 0.68 MCHR1 (0.41) MAPTALDH1A1SMN1; SMN2GAAREN
SCHEMBL1241355 0.68 LTA4H (0.64) LTA4HALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL501988 0.68 HRH3 (0.75) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL3366608 0.67 LTA4H (0.78) LTA4HALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL4420934 0.67 NPC1 (0.65) LTA4HALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL991354 0.66 ALDH1A1 (0.76) MAPTLTA4HALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed