SCHEMBL4596596

SCHEMBL4596596

[CH2]C1Cc2cc(C(F)(F)F)cc(-c3cccnc3)c2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.40
NPC1 O15118 2/20 0.40
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
S1PR1 P21453 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HTR2B P41595 1/20 0.38
HTR6 P50406 1/20 0.38
NPY5R Q15761 2/20 0.37
BRAF P15056 1/20 0.37
GRM2 Q14416 1/20 0.36
SCN9A Q15858 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL4596600 0.87 MAOA (0.44) KDRNPC1CYP11B1CYP11B2EGFR
SCHEMBL4597056 0.85 TDO2 (0.38) NPC1CYP11B1CYP11B2RAB9ANPY5R
SCHEMBL4224841 0.84 PRKAB2 (0.44) KDRNPC1CYP11B1CYP11B2EGFR
SCHEMBL4760715 0.82 HTR1A (0.43)
SCHEMBL4595686 0.80 DRD2 (0.38) CYP11B1CYP11B2HTR2B
SCHEMBL4597049 0.80 HTR1A (0.38) CYP11B2PDE3BPDE3A
SCHEMBL4595328 0.79 CYP11B1 (0.43) CYP11B1CYP11B2PTGS2HPGDSCYP1A2
SCHEMBL4712619 0.79 HTR1A (0.36)
SCHEMBL4595446 0.79 GAA (0.37)
SCHEMBL4597024 0.78 PTGS1 (0.34) KDRPTGS1PTGS2BRAFSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP claimed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO claimed
JP-2007509174-A 2007-04-12 JP claimed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO 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
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO disclosed