SCHEMBL4597607

SCHEMBL4597607

O=C(O)NCC1Cc2cccc(-c3ccc(F)cc3)c2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA2 P54646 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
GPR52 Q9Y2T5 1/20 0.43
AQP1 P29972 2/20 0.41
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AIMP2 Q13155 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL4225933 0.91 GPR52 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4229826 0.90 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220864 0.89 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595381 0.88 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4228954 0.87 GPR52 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220629 0.86 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4225930 0.85 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595071 0.85 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596681 0.85 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15758968 0.84 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 1 patent. 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