SCHEMBL5138435

SCHEMBL5138435

CNCC1Cc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 1.00
EZH2 Q15910 1/20 0.44
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL4232178 0.91 AQP1 (0.83) AQP1EZH2HRH4HRH3MAPK1
SCHEMBL4219176 0.89 AQP1 (0.80) AQP1EZH2NPC1RAB9ASMN1; SMN2
SCHEMBL14112699 0.89 AQP1 (0.80) AQP1EZH2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4622016 0.88 AQP1 (0.78) AQP1EZH2NPC1RAB9ASMN1; SMN2
SCHEMBL4224838 0.87 AQP1 (0.79) AQP1EZH2TP53CYP2C19
SCHEMBL4225189 0.87 AQP1 (0.77) AQP1EZH2NPC1RAB9ASMN1; SMN2
SCHEMBL4224840 0.87 AQP1 (0.79) AQP1EZH2TP53CYP2C19
SCHEMBL4220698 0.84 AQP1 (0.73) AQP1EZH2NPC1RAB9ASMN1; SMN2
SCHEMBL4226215 0.84 AQP1 (1.00) AQP1EZH2NPC1RAB9ASMN1; SMN2
SCHEMBL4596131 0.83 AQP1 (0.71) AQP1EZH2NPC1RAB9ASMN1; SMN2

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 5 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
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP disclosed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO disclosed