SCHEMBL6182314

SCHEMBL6182314

CN(C)CCOc1ccccc1OCc1cc(CCC(=O)O)cc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HTR7 P34969 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
FFAR1 O14842 2/20 0.39
HRH1 P35367 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL6184768 0.95 TSHR (0.44) TSHRALDH1A1KDM4ESMN1; SMN2LTB4R
SCHEMBL6186064 0.90 FFAR1 (0.48) SMN1; SMN2HPGDRAB9AFFAR4FFAR1
SCHEMBL6186189 0.89 HRH1 (0.45) TSHRALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6185078 0.85 PPARG (0.53) SMN1; SMN2HPGDRAB9AFFAR4L3MBTL1
SCHEMBL6185286 0.85 HRH1 (0.46) TSHRKDM4EHRH1MAOB
SCHEMBL6185364 0.84 KDM4E (0.46) KDM4EHRH1MAOB
SCHEMBL6187276 0.84 HRH1 (0.45) TSHRKDM4ELTB4RLTB4R2HRH1
SCHEMBL6187569 0.84 HRH1 (0.53) TSHRKDM4EHPGDRAB9ANPC1
SCHEMBL6188166 0.79 PTGER4 (0.52) LTB4RLTB4R2FFAR4PTGER1PTGER4
SCHEMBL6182277 0.78 PTGER4 (0.53) FFAR4L3MBTL1PTGER1PTGER4PTGER3

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