SCHEMBL6047971

SCHEMBL6047971

CNC(=O)OC1Cc2cccc(-c3ccc(C)cc3)c2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
BCHE P06276 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6047893 0.90 CHRM3 (0.39) BCHEALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL6047922 0.88 RAB9A (0.45) RAB9AALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL6047978 0.85 ALDH1A1 (0.41) NPC1MAPTRAB9ABCHEALDH1A1
SCHEMBL6047942 0.84 CHRM3 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047953 0.84 CHRM3 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047960 0.83 BCHE (0.38) BCHEALDH1A1MAPK1PRKAB2PRKAG1
SCHEMBL6047892 0.83 BCHE (0.38) NPC1BCHEALDH1A1MAPK1LMNA
SCHEMBL6047917 0.83 LMNA (0.43) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6047891 0.82 PRKAB2 (0.39) NPC1RAB9ABCHEMAPK1PRKAB2
SCHEMBL6047920 0.81 BCHE (0.36) BCHEALDH1A1MAPK1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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