SCHEMBL4595082

SCHEMBL4595082

Clc1cc(Cl)c(-c2cccc3c2OC([CH]Cc2ccccc2)C3)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
MEN1 O00255 1/20 0.32
CASP6 P55212 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.32
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL4596675 0.93 AQP1 (0.37) AQP1SIRT2
SCHEMBL4596775 0.88 AQP1 (0.40) AQP1MEN1CASP6KMT2ADPP4
SCHEMBL4596399 0.86 HTR1A (0.34) AQP1MEN1KMT2A
SCHEMBL4596725 0.86 CHRM1 (0.33) AQP1SIRT2MEN1CASP6KMT2A
SCHEMBL6047944 0.84 P2RX7 (0.38) SLC6A2SLC6A4
SCHEMBL4596984 0.81 AQP1 (0.45) AQP1SIRT2DPP4SLC6A2SLC6A4
SCHEMBL4595481 0.81 AQP1 (0.43) AQP1
SCHEMBL4596492 0.79 AQP1 (0.36) AQP1SIRT2
SCHEMBL6047967 0.79 MAPK1 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595429 0.79 AQP1 (0.33) AQP1SIRT2

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