SCHEMBL4649679

SCHEMBL4649679

O=C(NC1C2CCC1CNC2)C1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACE P12821 2/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
OPRM1 P35372 1/20 0.37
CFTR P13569 2/20 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
SCHEMBL4822180 0.84 PTPN1 (0.46) POLBCYP3A4CYP2C19
SCHEMBL4891930 0.83 HTT (0.46) POLBTDP1LMNAPKMALDH1A1
SCHEMBL4649758 0.81 POLB (0.46) POLBTDP1LMNAPKMACE
SCHEMBL4650297 0.77 TDP1 (0.47) POLBTDP1LMNAPKMALDH1A1
SCHEMBL4649602 0.74 CFTR (0.46) POLBTDP1LMNAPKMSMN1; SMN2
SCHEMBL15564948 0.74 HTT (0.55) LMNAALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL8908771 0.74 ACE (0.61) POLBTDP1LMNAALDH1A1ACE
SCHEMBL4573235 0.74 ACE (0.61) POLBTDP1LMNAALDH1A1ACE
SCHEMBL3840630 0.74 ACE (0.61) POLBTDP1LMNAALDH1A1ACE
SCHEMBL9596147 0.73 POLB (0.65) POLBTDP1LMNAPKMALDH1A1

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 claimed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed