SCHEMBL7218131

SCHEMBL7218131

N#CC1COc2c(F)cccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
CD274 Q9NZQ7 1/20 0.38
CYP19A1 P11511 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL706276 0.75 NISCH (0.44) ADRA1DADRA1AADRA1BMEN1LMNA
SCHEMBL31238855 0.75 NISCH (0.44) ADRA1DADRA1AADRA1BMEN1LMNA
SCHEMBL8204827 0.75 CA2 (0.50) CA2CYP19A1L3MBTL1MAPK1CYP11B1
SCHEMBL8204830 0.75 CA2 (0.50) CA2CYP19A1L3MBTL1MAPK1CYP11B1
SCHEMBL8125243 0.72 CA2 (0.58) CA2CYP19A1L3MBTL1MAPK1CYP11B1
SCHEMBL31205375 0.72 DRD2 (0.39) KDM4E
SCHEMBL10914944 0.72 DRD2 (0.39) KDM4E
SCHEMBL27446891 0.71 CA2 (0.47) CA2CYP19A1L3MBTL1MAPK1CYP11B1
SCHEMBL7216342 0.70 CA2 (0.52) CA2L3MBTL1MAPK1CYP11B1CYP11B2
SCHEMBL1519103 0.70 CA2 (0.49) CA2CYP19A1L3MBTL1MAPK1CYP11B1

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
US-6610725-B1 Alpha 2-adrenergic receptor antagonist and intended in this respect to treat neurodegenerative diseases, PIERRE FABRE MEDICAMENT (FR) 2003-08-26 US disclosed
EP-1192152-B1 NOVEL FLUORINATED IMIDAZOLINE BENZODIOXANE, PREPARATION AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2002-11-27 EP disclosed