SCHEMBL5606147

SCHEMBL5606147

COc1cc2c(c(-c3ccccc3C)c1)OC(N(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR7 P34969 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
HTR1A P08908 1/20 0.33
ABCB1 P08183 1/20 0.33
AR P10275 1/20 0.33
CYP26A1 O43174 2/20 0.32
CYP24A1 Q07973 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL5605796 0.86 MAPK14 (0.40) LMNAMAOAALDH1A1MAPTHPGD
SCHEMBL4597402 0.83 KDM4E (0.39) LMNAMAOAALDH1A1MAPTHPGD
SCHEMBL4597398 0.82 LMNA (0.36) LMNAMAOAALDH1A1MAPTHPGD
SCHEMBL4226195 0.80 PRKAB2 (0.51) LMNAMAOAALDH1A1MAPTHPGD
SCHEMBL5605458 0.78 MAPK14 (0.38) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL5606145 0.78 BRD4 (0.37) LMNAMAOAALDH1A1MAPTHPGD
SCHEMBL5606037 0.78 DPP4 (0.37) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL5605916 0.78 MAPT (0.35) LMNAALDH1A1MAPTHPGDKDM4E
SCHEMBL4223573 0.78 AQP1 (0.47) LMNAMAOAALDH1A1MAPTHPGD
SCHEMBL4223586 0.78 PRKAB2 (0.42) LMNAMAOAALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed