SCHEMBL4597091

SCHEMBL4597091

COc1ccc(Cl)cc1-c1cc(Cl)cc2c1OC(C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.39
STAT3 P40763 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 9/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
MAPK10 P53779 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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 0.91 HTR2C (0.40) HTR2AHTR2CSMN1; SMN2STAT3NPC1
SCHEMBL4606791 0.90 AQP1 (0.47) HTR2AHTR2CSMN1; SMN2STAT3NPC1
SCHEMBL4597003 0.88 GPR84 (0.40) HTR2AHTR2CSMN1; SMN2ALDH1A1HPGD
SCHEMBL4596121 0.87 PRKAB2 (0.41) HTR2AHTR2CSMN1; SMN2STAT3NPC1
SCHEMBL4597088 0.85 HTR2A (0.47) HTR2AHTR2CSMN1; SMN2STAT3NPC1
SCHEMBL4596514 0.83 CYP1A1 (0.41) HTR2CSMN1; SMN2NPC1TSHRRAB9A
SCHEMBL4622437 0.83 AQP1 (0.41) HTR2AHTR2CNPSR1TDP1L3MBTL1
SCHEMBL4230183 0.82 AQP1 (0.56) HTR2AHTR2CALDH1A1HPGDKDM4E
SCHEMBL4768067 0.82 KDM4E (0.39) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4595322 0.82 AQP1 (0.51) HTR2AHTR2CSMN1; SMN2ALDH1A1HPGD

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 12 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-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP disclosed
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP disclosed
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
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO disclosed
WO-2006116148-A2 (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE WYETH (US) 2006-11-02 WO disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed