SCHEMBL4596609

SCHEMBL4596609

Cc1ccccc1-c1cc(F)c2c(c1)CC(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.38
BRD4 O60885 3/20 0.37
CREBBP Q92793 2/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 3/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL4597166 0.89 GRM2 (0.40) PARP1BRD4CREBBPPRKAB2PRKAG1
SCHEMBL4706710 0.85 CNR1 (0.39) PARP1BRD4CREBBPALOX5APFEN1
SCHEMBL4596607 0.85 PRKAB2 (0.35) CREBBPPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4649496 0.84 DHODH (0.41) PARP1ALOX5APFEN1NPC1GAA
SCHEMBL4220616 0.83 PRKAB2 (0.55) CREBBPPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4229992 0.82 PRKAB2 (0.46) CREBBPPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4229989 0.81 AQP1 (0.51) CREBBPPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596715 0.79 HTR1A (0.43) PARP1BRD4CREBBPNPC1GAA
SCHEMBL4762568 0.79 PARP1 (0.48) PARP1BRD4CREBBPHTR1AMAOA
SCHEMBL4597250 0.78 PARP1 (0.40) PARP1BRD4CREBBPNPC1RAB9A

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 7 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
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed