SCHEMBL4597572

SCHEMBL4597572

CC1Cc2cc(-c3cccc(Cl)c3)cc(F)c2O1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
PARP1 P09874 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 3/20 0.35
ESR2 Q92731 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
TDP2 O95551 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
BACE1 P56817 2/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL4595107 0.86 PARP1 (0.42) GRM2PARP1SMN1; SMN2PGRESR2
SCHEMBL4595479 0.85 PARP1 (0.38) PARP1SMN1; SMN2PARP10PARP11MAOB
SCHEMBL5583554 0.85 PARP1 (0.40) GRM2PARP1HTR1A
SCHEMBL4597571 0.84 PGR (0.35) GRM2PGRPARP10PARP11TDP2
SCHEMBL4595545 0.82 GRM2 (0.41) GRM2HTR1AMAOB
SCHEMBL4220462 0.81 AQP1 (0.51) GRM2PGRMAOB
SCHEMBL4595402 0.80 GRM2 (0.39) GRM2PARP1SMN1; SMN2PGRTDP2
SCHEMBL4596976 0.79 PARP1 (0.44) GRM2PARP1PGRHTR1A
SCHEMBL4706710 0.78 CNR1 (0.39) GRM2PARP1HTR1A
SCHEMBL4597250 0.77 PARP1 (0.40) PARP1HTR1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed