SCHEMBL4596852

SCHEMBL4596852

[CH2]C1Cc2cc(Cl)cc(-c3ccccc3F)c2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
AQP1 P29972 3/20 0.36
CHRM1 P11229 3/20 0.32
USP7 Q93009 3/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 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
SCHEMBL4596587 0.89 HTR2A (0.37) HTR2AHTR2CAQP1CHRM1USP7
SCHEMBL4596566 0.86 AQP1 (0.41) HTR2AHTR2CAQP1USP7
SCHEMBL4712016 0.85 AQP1 (0.40) HTR2AHTR2CAQP1USP7MAOB
SCHEMBL4596855 0.83 HTR2A (0.43) HTR2AHTR2CAQP1HTR1AHTR7
SCHEMBL4709864 0.83 HTR1A (0.34) HTR2AHTR2CAQP1HTR1AHTR7
SCHEMBL4596422 0.82 SLC6A9 (0.33) HTR2AHTR2CHTR1AHTR7PRKAB2
SCHEMBL4597087 0.82 GPBAR1 (0.34) HTR2AHTR2CHTR1AHTR7
SCHEMBL5583517 0.81 USP7 (0.37) HTR2AHTR2CAQP1USP7PRKAB2
SCHEMBL4713782 0.81 AQP1 (0.37) HTR2AHTR2CAQP1USP7
SCHEMBL4597001 0.80 HTR7 (0.39) HTR2AHTR2CHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP claimed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO claimed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO claimed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed