SCHEMBL5583525

SCHEMBL5583525

Cc1cc2c(c(-c3cc(Cl)ccc3Cl)c1)O[CH]C2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 4/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
HTR2B P41595 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC9A1 P19634 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL5596068 0.88 F2RL3 (0.38) MAPTMAPK1KDM4EALDH1A1HPGD
SCHEMBL27723655 0.84 PLA2G7 (0.37) ALDH1A1HPGDKMT2ATP53
SCHEMBL4608351 0.82 AQP1 (0.42) MAPTMAPK1NPSR1TDP1L3MBTL1
SCHEMBL27723629 0.82 AHR (0.33) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL4770057 0.82 S1PR4 (0.37) S1PR4MAPTMAPK1NPSR1TDP1
SCHEMBL4763783 0.79 BIRC5 (0.35) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL27723634 0.78 HTR1A (0.38) ALDH1A1
SCHEMBL4596615 0.77 AQP1 (0.39) MAPTNPSR1TDP1KDM4EALDH1A1
SCHEMBL4766477 0.74 AQP1 (0.39) S1PR4MAPTMAPK1NPSR1TDP1
SCHEMBL4766472 0.73 AQP1 (0.38) S1PR4MAPTMAPK1NPSR1TDP1

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