SCHEMBL4649758

SCHEMBL4649758

O=C(NC1C2CCC1CN(Cc1ccccc1)C2)C1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CFTR P13569 1/20 0.44
NAMPT P43490 2/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ACE P12821 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP8 P22894 2/20 0.40
MMP3 P08254 1/20 0.40
GRIN2B Q13224 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4649602 0.90 CFTR (0.46) POLBCFTRNAMPTLMNAPKM
SCHEMBL4925914 0.87 HDAC8 (0.48) POLBNAMPTNPSR1
SCHEMBL4649360 0.86 SIGMAR1 (0.48) LMNANPSR1DRD2DRD4
SCHEMBL4649542 0.83 NAMPT (0.41) POLBNAMPTMMP8MMP3
SCHEMBL4649679 0.81 POLB (0.45) POLBCFTRLMNAPKMTDP1
SCHEMBL4650250 0.80 CFTR (0.43) POLBCFTRLMNAPKMTDP1
SCHEMBL4650499 0.78 KMT2A (0.51) POLBGRIN2BDRD2DRD4DRD3
SCHEMBL4650554 0.77 CHRM1 (0.41) POLBCFTRNPSR1MMP8MMP3
SCHEMBL4914651 0.77 HDAC8 (0.50) NAMPTNPSR1
SCHEMBL2849565 0.77 GRIN2B (0.50) POLBGRIN2BDRD2DRD4DRD3

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