SCHEMBL6047895

SCHEMBL6047895

CCCCc1ccc(-c2cc(C(F)(F)F)cc3c2OC(C)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
EIF4A1 P60842 1/20 0.34
DHFR P00374 1/20 0.33
HSD11B1 P28845 1/20 0.33
RARB P10826 2/20 0.32
KCNJ1 P48048 1/20 0.32
PDPK1 O15530 2/20 0.32
HTR1A P08908 1/20 0.32
S1PR1 P21453 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL6047894 0.89 DRD2 (0.36) DRD2EIF4A1HSD11B1RARBPDPK1
SCHEMBL4235883 0.86 PRKAB2 (0.40) DRD2MAOBEIF4A1HSD11B1RARB
SCHEMBL4596686 0.82 MAOA (0.42) DRD2MAOAMAOBHTR1ANPC1
SCHEMBL4596885 0.81 MAOA (0.39) DRD2MAOAMAOBHTR1AALDH1A1
SCHEMBL6047934 0.75 DRD2 (0.35) DRD2MAOAMAOBHTR1ABRD4
SCHEMBL4608126 0.74 CETP (0.39) DRD2MAOAMAOBPOLBBRD4
SCHEMBL4712620 0.74 MAOA (0.38) MAOAMAOBHTR1ABRD4
SCHEMBL4595448 0.73 HTR1A (0.39) MAOAMAOBHTR1AALDH1A1MAPT
SCHEMBL4596600 0.72 MAOA (0.44) MAOAMAOBS1PR1NPC1RAB9A
SCHEMBL4596822 0.71 KDM4E (0.44) MAOAMAOBHTR1ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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