SCHEMBL4596715

SCHEMBL4596715

Cc1ccccc1-c1c(F)ccc2c1OC(C)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.43
PARP1 P09874 6/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
GRM2 Q14416 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
SCHEMBL4596712 0.84 ALDH1A1 (0.32) HTR1ANPC1GAARAB9ASMN1; SMN2
SCHEMBL6047916 0.84 HTR1A (0.42) HTR1APARP1BRD4CREBBPGAA
SCHEMBL4596523 0.83 HTR1A (0.43) HTR1APARP1BRD4CREBBPNPC1
SCHEMBL4226843 0.82 PRKAB2 (0.39) NPC1GAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4220483 0.82 PRKAB2 (0.50) NPC1GAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4230833 0.81 PRKAB2 (0.41) NPC1GAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4230830 0.80 AQP1 (0.52) ALDH1A1MAPK1
SCHEMBL4596609 0.79 PARP1 (0.38) HTR1APARP1BRD4CREBBPNPC1
SCHEMBL6047940 0.77 PARP1 (0.49) HTR1APARP1BRD4CREBBPMAOA
SCHEMBL4762568 0.77 PARP1 (0.48) HTR1APARP1BRD4CREBBPMAOA

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 7 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
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
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