SCHEMBL4596825

SCHEMBL4596825

[CH2][C@@H]1Cc2cc(F)cc(-c3cc(Cl)ccc3C)c2O1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.41
CETP P11597 1/20 0.32
AGPAT2 O15120 1/20 0.32
HTR7 P34969 1/20 0.31
PARP1 P09874 3/20 0.31
IDO1 P14902 1/20 0.31
USP7 Q93009 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL4764341 0.90 AQP1 (0.55) AQP1L3MBTL1PARP1
SCHEMBL4713099 0.87 AQP1 (0.54) AQP1L3MBTL1IDO1
SCHEMBL4596814 0.87 AQP1 (0.40) AQP1L3MBTL1PARP1
SCHEMBL4596827 0.86 AQP1 (0.53) AQP1L3MBTL1CETPAGPAT2PARP1
SCHEMBL4712233 0.84 AQP1 (0.67) AQP1HTR7
SCHEMBL4606789 0.84 AQP1 (0.47) AQP1CETP
SCHEMBL4762566 0.83 AQP1 (0.42) AQP1HTR7PARP1PDE10AGPBAR1
SCHEMBL5605564 0.82 AQP1 (0.56) AQP1L3MBTL1AGPAT2IDO1
SCHEMBL14113171 0.82 AQP1 (0.76) AQP1L3MBTL1AGPAT2PARP1
SCHEMBL4230928 0.82 AQP1 (0.76) AQP1L3MBTL1AGPAT2PARP1

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