SCHEMBL4595599

SCHEMBL4595599

CC1Cc2cc(C(C)C)cc(-c3ccccc3Cl)c2O1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
BRD4 O60885 3/20 0.34
CREBBP Q92793 3/20 0.34
HTR1A P08908 5/20 0.33
AQP1 P29972 3/20 0.33
PLA2G7 Q13093 1/20 0.33
SLC5A2 P31639 2/20 0.33
GRM2 Q14416 1/20 0.33
PARP1 P09874 3/20 0.33
HTR7 P34969 2/20 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
SCHEMBL4595596 0.86 AQP1 (0.33) CNR1CNR2HTR1AAQP1PLA2G7
SCHEMBL4595198 0.85 LMNA (0.39) BRD4CREBBPHTR1ASLC5A2PARP1
SCHEMBL4230237 0.83 AQP1 (0.52) CNR1CNR2HTR1AAQP1PLA2G7
SCHEMBL4710394 0.82 CNR1 (0.38) CNR1CNR2BRD4CREBBPHTR1A
SCHEMBL4765146 0.81 AQP1 (0.50) CNR1CNR2BRD4CREBBPHTR1A
SCHEMBL5583714 0.80 CNR1 (0.39) CNR1CNR2BRD4CREBBPHTR1A
SCHEMBL4596349 0.79 GRM2 (0.38) CNR1CNR2BRD4CREBBPHTR1A
SCHEMBL4595488 0.79 MAPK14 (0.42) CNR1CNR2
SCHEMBL4649844 0.79 PARP1 (0.48) CNR1CNR2BRD4CREBBPHTR1A
SCHEMBL4596891 0.78 THRB (0.39) CNR1CNR2BRD4CREBBPHTR1A

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