SCHEMBL6709448

SCHEMBL6709448

[CH2]C(CCN(C)C)C(C(N)=O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.41
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 2/20 0.39
AOC3 Q16853 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR1B P28222 2/20 0.37
ACP3 P15309 1/20 0.36
CFD P00746 1/20 0.36
CTSG P08311 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36

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
SCHEMBL6445346 0.82 UTS2R (0.42) UTS2RALOX5ALDH1A1AOC3CYP1A2
SCHEMBL6445025 0.78 KIF11 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19ACP3
SCHEMBL6447034 0.77 AOC3 (0.42) ALOX5ALDH1A1AOC3CYP1A2CYP2C9
SCHEMBL9734748 0.77 UTS2R (0.44) UTS2RALDH1A1AOC3CYP2C9CYP2C19
SCHEMBL1665813 0.77 ALDH1A1 (0.55) ALOX5ALDH1A1AOC3CYP1A2CYP2C9
SCHEMBL7302864 0.74 ALDH1A1 (0.43) ALOX5ALDH1A1AOC3CYP1A2CYP2C9
SCHEMBL6444521 0.74 ALOX5 (0.41) ALOX5ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18860719 0.73 HTR1B (0.45) UTS2RALDH1A1AOC3CYP1A2CYP2C9
SCHEMBL6243896 0.71 ALDH1A1 (0.53) ALOX5ALDH1A1AOC3CYP1A2CYP2C9
SCHEMBL25368292 0.70 ALDH1A1 (0.44) ALOX5ALDH1A1CYP1A2CYP2C9CYP2C19

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-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
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed