SCHEMBL4596600

SCHEMBL4596600

CC1Cc2cc(C(F)(F)F)cc(-c3cccnc3)c2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
S1PR1 P21453 1/20 0.40
GRM2 Q14416 1/20 0.40
KDR P35968 3/20 0.40
NPC1 O15118 2/20 0.40
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 6/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
EGFR P00533 1/20 0.38
FGFR1 P11362 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
MAOB P27338 1/20 0.36
CYP19A1 P11511 1/20 0.36
NPY5R Q15761 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
SCHEMBL4596596 0.87 KDR (0.40) SMN1; SMN2S1PR1GRM2KDRNPC1
SCHEMBL4597059 0.84 PARP1 (0.47) MAOACYP11B1CYP11B2CYP19A1NPY5R
SCHEMBL4224841 0.83 PRKAB2 (0.44) MAOASMN1; SMN2S1PR1KDRNPC1
SCHEMBL4760717 0.83 HTR1A (0.44) MAOANPC1RAB9AMAOB
SCHEMBL4595688 0.81 MAOA (0.46) MAOAGRM2CYP11B1CYP11B2MAOB
SCHEMBL4597052 0.81 HTR1A (0.39) MAOAGRM2MAOB
SCHEMBL4712620 0.81 MAOA (0.38) MAOAKDRFGFR1MAOB
SCHEMBL4595448 0.80 HTR1A (0.39) MAOAGRM2MAOB
SCHEMBL4597027 0.79 PARP1 (0.40) MAOAGRM2PTGS1PTGS2MAOB
SCHEMBL4596686 0.79 MAOA (0.42) MAOANPC1PTGS1PTGS2RAB9A

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