SCHEMBL4596674

SCHEMBL4596674

O=C(O)N(CCc1ccccc1)CC1Cc2cccc(-c3c(Cl)cc(Cl)cc3Cl)c2O1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AQP1 P29972 1/20 0.35
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
GPR52 Q9Y2T5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6047928 0.91 OXTR (0.37) SIRT2TDP1AQP1PRKAB2PRKAG1
SCHEMBL6368626 0.85 AQP1 (0.40) LPAR1LPAR5MEN1KMT2AAQP1
SCHEMBL4224655 0.84 LPAR1 (0.39) LPAR1LPAR5MEN1NPC1RAB9A
SCHEMBL4596610 0.83 SIRT2 (0.40) SIRT2LPAR1LPAR5MEN1NPC1
SCHEMBL4220403 0.81 AQP1 (0.40) SIRT2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL4233789 0.81 AQP1 (0.43) MEN1NPC1RAB9AKMT2AAQP1
SCHEMBL4595085 0.81 SIRT2 (0.54) SIRT2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL4596631 0.81 AQP1 (0.57) SIRT2LPAR1LPAR5MEN1NPC1
SCHEMBL4596670 0.80 PRKAB2 (0.37) SIRT2NPC1RAB9AAQP1PRKAB2
SCHEMBL4229060 0.79 OXTR (0.39) LPAR1LPAR5MEN1KMT2APRKAB2

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