SCHEMBL6184768

SCHEMBL6184768

CN(C)CCCOc1ccccc1OCc1cc(CCC(=O)O)cc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.43
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH1 P35367 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
MAOB P27338 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL6182314 0.95 TSHR (0.45) TSHRKDM4ELTB4RLTB4R2HPGD
SCHEMBL6185286 0.90 HRH1 (0.46) TSHRKDM4EHRH1MAOB
SCHEMBL6187569 0.89 HRH1 (0.53) TSHRKDM4EHPGDNPC1RAB9A
SCHEMBL6187276 0.89 HRH1 (0.45) TSHRKDM4ELTB4RLTB4R2HRH1
SCHEMBL6185364 0.87 KDM4E (0.46) KDM4EHRH1MAOB
SCHEMBL6186064 0.85 FFAR1 (0.48) HPGDRAB9AFFAR4SMN1; SMN2
SCHEMBL6186189 0.85 HRH1 (0.45) TSHRKDM4EHPGDNPC1RAB9A
SCHEMBL6185078 0.80 PPARG (0.53) HPGDRAB9AFFAR4L3MBTL1SMN1; SMN2
SCHEMBL6182277 0.79 PTGER4 (0.53) FFAR4L3MBTL1PTGER1PTGER4PTGER3
SCHEMBL6188166 0.78 PTGER4 (0.52) LTB4RLTB4R2FFAR4PTGER1PTGER4

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