SCHEMBL4552441

SCHEMBL4552441

C#Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
MAPT P10636 3/20 0.47
TTR P02766 3/20 0.47
HPGD P15428 2/20 0.47
SLC6A3 Q01959 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
PGR P06401 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
HSPA5 P11021 1/20 0.47
CBR1 P16152 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
AGTR1 P30556 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL3438989 0.83 MAPT (0.62) FFAR1MAPTTTRHPGDSLC6A3
SCHEMBL11649803 0.83 SLC6A4 (0.57) FFAR1MAPTTTRHPGDSLC6A3
SCHEMBL11007589 0.80 FFAR1 (0.54) FFAR1MAPTTTRLMNAMEN1
SCHEMBL7106722 0.79 MAOA (0.52) MAPTHPGDLMNACYP1A2CYP2C9
SCHEMBL9339622 0.79 HPGD (0.48) FFAR1MAPTTTRHPGDSLC6A3
SCHEMBL3469104 0.77 TTR (0.61) FFAR1MAPTTTRHPGDSLC6A3
SCHEMBL554810 0.77 MAOA (0.61) FFAR1MAPTTTRHPGDSLC6A3
SCHEMBL2092929 0.77 FFAR1 (0.53) FFAR1MAPTTTRHPGDSLC6A3
SCHEMBL8502158 0.77 FFAR1 (0.56) FFAR1MAPTTTRHPGDSLC6A3
SCHEMBL16705542 0.77 HTR2A (0.55) FFAR1MAPTTTRHPGDSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP claimed