SCHEMBL4649586

SCHEMBL4649586

O=C(NCC1C2CN(C(=O)N3CCOCC3)CC12)C1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
PRMT5 O14744 7/20 0.39
WDR77 Q9BQA1 4/20 0.39
F10 P00742 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C3 P42330 1/20 0.38
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
TSHR P16473 2/20 0.37
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL4649139 0.87 NAMPT (0.43) GLATDP1PRMT5WDR77F10
SCHEMBL4649150 0.84 F2R (0.36) TDP1HTR1AHTR7PRMT5WDR77
SCHEMBL4650297 0.79 TDP1 (0.47) TDP1CYP2C19USP2ALDH1A1
SCHEMBL4650250 0.79 CFTR (0.43) TDP1MMP8MMP3USP2ALDH1A1
SCHEMBL4649495 0.78 PRMT5 (0.46) PRMT5WDR77
SCHEMBL25382952 0.75 HTR1A (0.56) GLAHTR1AHTR7MMP8MMP3
SCHEMBL15152498 0.75 HTR1A (0.56) GLAHTR1AHTR7MMP8MMP3
SCHEMBL16411288 0.69 FKBP1A (0.47) HTR1AHTR7USP2ALDH1A1MAPT
SCHEMBL1061859 0.69 TDP1 (0.49) TDP1HTR1AHTR7ALDH1A1MAPT
SCHEMBL4922008 0.68 HDAC8 (0.51) TDP1

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-1904495-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed