SCHEMBL4649602

SCHEMBL4649602

O=C(NC1C2CN(Cc3ccccc3)CC21)C1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
ACE P12821 2/20 0.42
HTR4 Q13639 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP8 P22894 2/20 0.42
MMP3 P08254 1/20 0.42
NAMPT P43490 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 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
SCHEMBL4649758 0.90 POLB (0.46) CFTRPOLBLMNAPKMACE
SCHEMBL4650250 0.87 CFTR (0.43) CFTRPOLBLMNAPKMACE
SCHEMBL4914651 0.86 HDAC8 (0.50) NPSR1NAMPT
SCHEMBL4925914 0.78 HDAC8 (0.48) POLBNPSR1NAMPT
SCHEMBL4649360 0.77 SIGMAR1 (0.48) LMNANPSR1
SCHEMBL4922008 0.75 HDAC8 (0.51) NPSR1NAMPTTDP1
SCHEMBL4649679 0.74 POLB (0.45) CFTRPOLBLMNAPKMACE
SCHEMBL4649542 0.73 NAMPT (0.41) POLBMMP8MMP3NAMPT
SCHEMBL4898687 0.73 HTR4 (0.54) HTR4S1PR1S1PR5
SCHEMBL28561301 0.72 ACE (0.48) POLBLMNAPKMACEMMP8

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