SCHEMBL6182277

SCHEMBL6182277

O=C(O)CCc1cc(CCCc2ccccc2OCc2ccccc2)cc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.53
PTGER3 P43115 10/20 0.53
PTGER1 P34995 9/20 0.53
PTGER2 P43116 9/20 0.53
FFAR1 O14842 3/20 0.45
FFAR4 Q5NUL3 2/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL6188166 0.91 PTGER4 (0.52) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL6187276 0.85 HRH1 (0.45)
SCHEMBL6187858 0.83 TDP1 (0.45) TDP1L3MBTL1CASP3
SCHEMBL6185286 0.81 HRH1 (0.46)
SCHEMBL6185364 0.80 KDM4E (0.46)
SCHEMBL6184768 0.79 TSHR (0.44) PTGER4PTGER3PTGER1PTGER2FFAR4
SCHEMBL6186189 0.79 HRH1 (0.45) DRD2
SCHEMBL6185121 0.79 ABCB1 (0.49) L3MBTL1DRD2
SCHEMBL6182314 0.78 TSHR (0.45) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL6187569 0.78 HRH1 (0.53) THRADRD2

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
EP-1275641-B1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-01-12 EP disclosed
US-6541471-B1 Useful as a TXA2 receptor antagonist and a 5-HT2 receptor antagonist LES LABORATOIRES SERVIER (FR) 2003-04-01 US disclosed
EP-1275641-A2 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed