SCHEMBL4596908

SCHEMBL4596908

[CH2]C1Cc2cccc(-c3ccc(C)cc3)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.37
HTR7 P34969 1/20 0.37
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
PARP1 P09874 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
SCHEMBL4596785 0.83 DRD2 (0.51) DRD2HTR7PRKAB2PRKAG1PRKAA2
SCHEMBL4596756 0.83 MAOB (0.34) MAPTSMN1; SMN2MAOBMAOA
SCHEMBL4596910 0.82 PARP1 (0.49) DRD2HTR7PRKAB2PRKAG1PRKAA2
SCHEMBL4608433 0.82 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596563 0.81 HTR1A (0.38) DRD2HTR7PRKAB2PRKAG1PRKAA2
SCHEMBL6047939 0.81 HTR2A (0.40) DRD2HTR7PRKAB2PRKAG1PRKAA2
SCHEMBL5583536 0.80 HPRT1 (0.46) NPC1RAB9APOLBSMN1; SMN2MAOB
SCHEMBL4596739 0.79 AQP1 (0.38) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL4597588 0.78 HTR7 (0.43) DRD2HTR7PRKAB2PRKAG1PRKAA2
SCHEMBL5820032 0.77 PRKAB2 (0.61) DRD2HTR7PRKAB2PRKAG1PRKAA2

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 4 patents. 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
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