SCHEMBL4749762

SCHEMBL4749762

CNC(=O)OC1Cc2cccc(-c3cccc(OC)c3OC)c2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

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
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
MAPK10 P53779 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR7 P34969 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL6047891 0.92 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047975 0.84 TSHR (0.43) LMNATSHRMAPTMTNR1AMTNR1B
SCHEMBL6047892 0.84 BCHE (0.38) HSD17B10ALDH1A1LMNAKDM4EHPGD
SCHEMBL6047922 0.82 RAB9A (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047960 0.81 BCHE (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047920 0.80 BCHE (0.36) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL6047971 0.79 NPC1 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047978 0.79 ALDH1A1 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047917 0.79 LMNA (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047921 0.79 AQP1 (0.41) ALDH1A1LMNAKDM4EHPGDHTT

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