SCHEMBL5604772

SCHEMBL5604772

CCNC1Cc2cc(OC)cc(-c3cc(Cl)ccc3OC)c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
AQP1 P29972 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 5/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
HPGD P15428 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
PRNP P04156 1/20 0.33

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
SCHEMBL4713089 0.82 HTR2C (0.40) HTR2CHTR2APOLBMAPTNPSR1
SCHEMBL4713088 0.81 HTR2C (0.40) HTR2CHTR2AAQP1POLBMAPT
SCHEMBL4231133 0.80 AQP1 (0.56) LMNAHTR2CHTR2AAQP1POLB
SCHEMBL4230043 0.80 AQP1 (0.53) HTR2CHTR2AAQP1POLBMAPT
SCHEMBL5604768 0.79 HTR2C (0.37) HTR2CHTR2APOLBMAPTNPSR1
SCHEMBL4231138 0.78 AQP1 (0.43) HTR2CHTR2AAQP1POLBMAPT
SCHEMBL4597091 0.73 HTR2A (0.46) HTR2CHTR2ANPSR1HTTALDH1A1
SCHEMBL4226280 0.72 MCOLN3 (0.36) LMNAAQP1MAPTNPSR1HTT
SCHEMBL4220505 0.72 AQP1 (0.59) HTR2CHTR2AAQP1NPSR1HTT
SCHEMBL4597088 0.72 HTR2A (0.47) HTR2CHTR2AAQP1POLBNPSR1

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