SCHEMBL5583552

SCHEMBL5583552

[CH2]C1Cc2cc(-c3ccc(Cl)cc3)cc(F)c2O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.33
AQP1 P29972 2/20 0.32
TDP2 O95551 2/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL4596968 0.88 KDM1A (0.36)
SCHEMBL4597245 0.85 FFAR4 (0.31)
SCHEMBL4597571 0.85 PGR (0.35) TDP2
SCHEMBL5583554 0.82 PARP1 (0.40) AHRAQP1
SCHEMBL4597165 0.82 NPC1 (0.37)
SCHEMBL4596319 0.79 CYP1A2 (0.41)
SCHEMBL4706707 0.79 DHODH (0.36) AQP1
SCHEMBL4230632 0.79 AQP1 (0.54) AHRAQP1HTR2CHTR2B
SCHEMBL4595105 0.78 TAAR1 (0.36) HTR2C
SCHEMBL4963747 0.78 AQP1 (0.47) AHRAQP1HTR2C

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