SCHEMBL6185078

SCHEMBL6185078

CN(C)CCOc1ccc(CCc2cc(CCC(=O)O)cc(CCN3C(=O)c4ccccc4C3=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
FFAR1 O14842 6/20 0.49
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 2/20 0.45
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL6186064 0.93 FFAR1 (0.48) PPARGFFAR1HPGDNPSR1RAB9A
SCHEMBL6186189 0.86 HRH1 (0.45) LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL6182314 0.85 TSHR (0.45) FFAR1L3MBTL1HPGDRAB9ASMN1; SMN2
SCHEMBL6185286 0.82 HRH1 (0.46)
SCHEMBL6185364 0.81 KDM4E (0.46)
SCHEMBL6184768 0.80 TSHR (0.44) L3MBTL1HPGDRAB9ASMN1; SMN2FFAR4
SCHEMBL16689220 0.80 LMNA (0.69) PPARGFFAR1PPARDPPARALMNA
SCHEMBL6185595 0.80 LMNA (0.56) PPARGFFAR1PPARDPPARALMNA
SCHEMBL6183842 0.79 PPARD (0.58) FFAR1PPARDPPARAL3MBTL1RAB9A
SCHEMBL6187569 0.79 HRH1 (0.53) LMNAHPGDRAB9A

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