SCHEMBL4595211

SCHEMBL4595211

COc1cccc(-c2cc(F)cc3c2OC(CN(CCc2ccccc2)C(=O)O)C3)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
AQP1 P29972 3/20 0.38
LPAR1 Q92633 4/20 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
SCHEMBL4232748 0.86 PRKAB2 (0.43) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL4595207 0.83 PTGDR2 (0.39) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL6367411 0.82 OXTR (0.43) LMNAHTTSMN1; SMN2L3MBTL1MEN1
SCHEMBL4596631 0.82 AQP1 (0.57) LMNASMN1; SMN2TDP1L3MBTL1MEN1
SCHEMBL5141127 0.81 AQP1 (0.41) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL4596147 0.81 OXTR (0.48) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4232754 0.80 AQP1 (0.41) LMNAHTTSMN1; SMN2TDP1MEN1
SCHEMBL4220807 0.79 AQP1 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595205 0.78 AQP1 (0.37) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL4229679 0.78 OXTR (0.42) ALDH1A1MAPK1AQP1LPAR1OXTR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed