SCHEMBL6047892

SCHEMBL6047892

CNC(=O)OC1Cc2cccc(-c3ccccc3Cl)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPY5R Q15761 1/20 0.34
MAPK1 P28482 1/20 0.34
AQP1 P29972 1/20 0.34
PARP1 P09874 3/20 0.33
CHRM3 P20309 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL6047921 0.90 AQP1 (0.41) BCHELMNASLC6A3ALDH1A1SMN1; SMN2
SCHEMBL4652327 0.87 AQP1 (0.36) BCHELMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL6047960 0.85 BCHE (0.38) BCHEHTR1AHTR7LMNAALDH1A1
SCHEMBL6047935 0.85 AQP1 (0.47) BCHELMNACA1CA2ALDH1A1
SCHEMBL6047891 0.84 PRKAB2 (0.39) BCHEHTR7LMNAMAPK1KDM4E
SCHEMBL6047953 0.84 CHRM3 (0.40) HTR1AHTR7CA1CA2SLC6A3
SCHEMBL4749762 0.84 PRKAB2 (0.40) HTR7LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL6047920 0.83 BCHE (0.36) BCHELMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL6047978 0.83 ALDH1A1 (0.41) BCHELMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL6047971 0.83 NPC1 (0.41) BCHELMNAALDH1A1SMN1; SMN2NPY5R

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