SCHEMBL4596532

SCHEMBL4596532

COc1cccc(-c2cccc3c2OC([CH]Cc2ccccc2)C3)c1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 1/20 0.36
MAOB P27338 1/20 0.35
DRD2 P14416 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4596329 0.84 CYP1A1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596399 0.81 HTR1A (0.34) ALDH1A1MEN1KMT2AHTR7MAOB
SCHEMBL6047967 0.81 MAPK1 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596005 0.79 HTR1A (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596535 0.79 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047944 0.77 P2RX7 (0.38) DRD2
SCHEMBL4596775 0.76 AQP1 (0.40) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL4596928 0.76 PRKAB2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4234512 0.76 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4714383 0.76 PRKAB2 (0.44) 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