SCHEMBL4891930

SCHEMBL4891930

O=C(NC1CCCCCCCCCCC2CCC1CNC2)C1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 4/20 0.45
SSTR4 P31391 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
CASP1 P29466 1/20 0.35
CASP8 Q14790 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4649679 0.83 POLB (0.45) HTTTSHRPOLBTDP1LMNA
SCHEMBL4650297 0.71 TDP1 (0.47) POLBTDP1LMNAPKMALDH1A1
SCHEMBL4822180 0.69 PTPN1 (0.46) POLBCYP3A4CYP2C19
SCHEMBL15564948 0.68 HTT (0.55) HTTTSHRKDM4ELMNAALDH1A1
SCHEMBL4649758 0.68 POLB (0.46) POLBKDM4ETDP1LMNAPKM
SCHEMBL4573235 0.66 ACE (0.61) POLBKDM4ETDP1LMNAALDH1A1
SCHEMBL8908771 0.66 ACE (0.61) POLBKDM4ETDP1LMNAALDH1A1
SCHEMBL3840630 0.66 ACE (0.61) POLBKDM4ETDP1LMNAALDH1A1
SCHEMBL9596147 0.65 POLB (0.65) POLBTDP1LMNAPKMALDH1A1
SCHEMBL25380410 0.65 PREP (0.50) GAAMEN1MAPTKMT2AHPGD

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