SCHEMBL6709447

SCHEMBL6709447

CN(C)CCC([CH]C(N)=O)Cc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.43
MMP9 P14780 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
METAP2 P50579 5/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTNR1A P48039 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
METAP1 P53582 2/20 0.39
NLN Q9BYT8 2/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6448997 0.78 L3MBTL1 (0.45) CTNNB1MMP9CYP1A2CYP2C19MTNR1A
SCHEMBL7302653 0.75 HTR1B (0.43) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL9666926 0.72 CYP1A2 (0.47) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL7294849 0.71 CTNNB1 (0.44) CTNNB1MMP9METAP2CYP1A2CYP2D6
SCHEMBL7330802 0.70 HTR1B (0.47) CTNNB1MMP9METAP2CYP1A2CYP2D6
SCHEMBL6444409 0.69 CTNNB1 (0.54) CTNNB1MMP9CYP1A2MTNR1AL3MBTL1
SCHEMBL1284854 0.69 CTNNB1 (0.54) CTNNB1MMP9MTNR1AL3MBTL1TDP1
SCHEMBL6445346 0.69 UTS2R (0.42) UTS2RCYP1A2CYP2C19
SCHEMBL6442868 0.69 MMP9 (0.45) MMP9MTNR1A
SCHEMBL8900559 0.69 MTNR1A (0.57) CTNNB1MTNR1AL3MBTL1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed