SCHEMBL5586519

SCHEMBL5586519

Cc1ccc(-c2cccc3c2O[CH]C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 3/20 0.35
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
DRD2 P14416 3/20 0.33
HTR7 P34969 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MEN1 O00255 1/20 0.31
PLA2G1B P04054 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5583652 0.83 ENPP3 (0.40) NPC1RAB9ASMN1; SMN2ALOX15ALOX12
SCHEMBL5586547 0.79 MEN1 (0.36) MAPTSMN1; SMN2ADORA3MEN1KMT2A
SCHEMBL4597327 0.79 DRD2 (0.47) RAB9ASMN1; SMN2POLBDRD2HTR7
SCHEMBL5583422 0.76 CNR2 (0.33) DRD2
SCHEMBL5583557 0.73 HTR1A (0.44) NPC1RAB9ASMN1; SMN2TP53HTR7
SCHEMBL5586539 0.73 HTR1A (0.44) MAPTSMN1; SMN2LMNATP53HTR7
SCHEMBL14278982 0.72 PARP1 (0.44) NPC1RAB9AMAPTPKMSMN1; SMN2
SCHEMBL5583665 0.72 CYP11B1 (0.47) RAB9AMAPTSMN1; SMN2LMNATP53
SCHEMBL4596910 0.71 PARP1 (0.49) DRD2HTR7
SCHEMBL5586507 0.71 HTR1A (0.47) MAPTSMN1; SMN2POLBDRD2HTR7

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 3 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