SCHEMBL4596677

SCHEMBL4596677

COc1ccc(-c2cccc3c2OC(N(C)C(=O)O)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL4596769 0.90 HTR1A (0.47) LMNAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225937 0.89 HTR7 (0.43) DRD2SMN1; SMN2PRKAB2PRKAG1PRKAA2
SCHEMBL4596752 0.86 RAB9A (0.38) DRD2RAB9ASMN1; SMN2LMNAPRKAB2
SCHEMBL4595383 0.85 HTR7 (0.43) DRD2SMN1; SMN2PRKAB2PRKAG1PRKAA2
SCHEMBL4597609 0.85 HTR7 (0.43) DRD2SMN1; SMN2LMNAPRKAB2PRKAG1
SCHEMBL4596754 0.83 HTR7 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4228958 0.82 DRD2 (0.48) DRD2
SCHEMBL4596359 0.81 HTR7 (0.46) DRD2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596419 0.81 CAMKK2 (0.39) DRD2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4595037 0.80 HTR7 (0.45) DRD2PRKAB2PRKAG1PRKAA2PRKAA1

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