SCHEMBL6579205

SCHEMBL6579205

Fc1cc(Br)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)[CH]CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 12/20 0.55
TBXA2R P21731 12/20 0.55
PTGER3 P43115 3/20 0.55
PTGER2 P43116 3/20 0.55
PTGIR P43119 3/20 0.55
PTGER1 P34995 2/20 0.55
PTGFR P43088 2/20 0.55
PTGER4 P35408 1/20 0.55
PDE2A O00408 3/20 0.53
PDE4A P27815 1/20 0.39
TSPO P30536 1/20 0.39
DRD3 P35462 1/20 0.39
PDE4D Q08499 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
IDO1 P14902 1/20 0.33
LMNA P02545 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL4100109 0.71 PTGDR (1.00) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL1408220 0.70 PDE2A (1.00) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL4100256 0.66 PDE2A (0.78) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL14401183 0.64 PTGDR (0.62) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL5778034 0.61 TBXA2R (0.43) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL4681125 0.56 SLC5A2 (0.45) LMNAMAPT
SCHEMBL25515855 0.55 KDM4E (0.52) IDO1LMNANR2F2HTTSMN1; SMN2
SCHEMBL20680299 0.54 MAPT (0.42) LMNASMN1; SMN2MAPT
SCHEMBL11719377 0.53 P2RX3 (0.54) IDO1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL3890367 0.53 KDM4E (0.44) IDO1KDM4ECYP1A2CYP3A4MAPT

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-1470107-A2 FLUORO SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-10-27 EP disclosed
WO-2003062200-A2 FLUORO SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2003-07-31 WO disclosed