SCHEMBL242257

SCHEMBL242257

O=C(C(Br)c1ccccc1)C1CC1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
CYP2D6 P10635 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SRC P12931 1/20 0.36
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
THRB P10828 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
ADRA1A P35348 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL986052 0.79 CYP2D6 (0.37) CES2CES1CYP2D6MAPK1CYP1A2
SCHEMBL8677107 0.78 CES2 (0.42) CES2CES1CYP3A4MEN1KMT2A
SCHEMBL241642 0.76 CES2 (0.57) CES2CES1CYP2D6MAPK1SRC
SCHEMBL5015693 0.71 CES2 (0.52) CES2CES1TSHRLMNAMEN1
SCHEMBL234580 0.71 CES2 (0.76) CES2CES1CYP2D6MAPK1CYP1A2
SCHEMBL604040 0.71 CES2 (0.76) CES2CES1CYP2D6MAPK1CYP1A2
Benzene SCHEMBL28201061 0.71 CES2 (0.76) CES2CES1CYP2D6MAPK1CYP1A2
SCHEMBL5899350 0.71 CES2 (0.76) CES2CES1CYP2D6MAPK1CYP1A2
SCHEMBL1174028 0.70 CES2 (0.67) CES2CES1CYP2D6MAPK1TSHR
SCHEMBL7611166 0.70 CES2 (0.67) CES2CES1CYP2D6MAPK1TSHR

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
WO-2012001486-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PRASUGREL HYDROCHLORIDE AND ITS INTERMEDIATES MAYUKA LABS PVT. LTD. (IN) 2012-01-05 WO disclosed
WO-2012001486-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PRASUGREL HYDROCHLORIDE AND ITS INTERMEDIATES MAYUKA LABS PVT. LTD. (IN) 2012-01-05 WO disclosed
WO-2009066326-A2 IMPROVED PROCESS FOR THE PREPARATION OF PRASUGREL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2009-05-28 WO disclosed