SCHEMBL4677113

SCHEMBL4677113

O=C(Nc1ccccc1)OCc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.51
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
MGLL Q99685 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL26697146 0.83 NPC1 (0.53) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL7239176 0.80 MEN1 (0.49) SMN1; SMN2RAB9ALMNAALDH1A1KDM4E
SCHEMBL8337993 0.80 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6120372 0.79 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL1790735 0.79 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL20724273 0.79 ALDH1A1 (0.57) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
Benzyl Phenylcarbamate SCHEMBL1222943 0.78 POLB (0.78) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL10595799 0.78 POLB (0.73) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL4678478 0.77 MGLL (0.71) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL28702044 0.77 ALDH1A1 (0.58) SMN1; SMN2NPC1RAB9ALMNAALDH1A1

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-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed