SCHEMBL6186064

SCHEMBL6186064

CN(C)CCOc1ccc(OCc2cc(CCC(=O)O)cc(CCN3C(=O)c4ccccc4C3=O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.48
MCHR1 Q99705 1/20 0.48
FFAR4 Q5NUL3 5/20 0.46
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARG P37231 1/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 1/20 0.43

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
SCHEMBL6185078 0.93 PPARG (0.53) FFAR1FFAR4HPGDNPSR1PPARG
SCHEMBL6182314 0.90 TSHR (0.45) FFAR1FFAR4HPGDRAB9ASMN1; SMN2
SCHEMBL6184768 0.85 TSHR (0.44) FFAR4HPGDRAB9ASMN1; SMN2
SCHEMBL6186189 0.83 HRH1 (0.45) HPGDRAB9ASMN1; SMN2
SCHEMBL6185286 0.79 HRH1 (0.46)
SCHEMBL6187569 0.78 HRH1 (0.53) HPGDRAB9A
SCHEMBL6187276 0.78 HRH1 (0.45)
SCHEMBL6185364 0.78 KDM4E (0.46)
SCHEMBL6185131 0.75 CASP3 (0.52) RAB9AMAPTSMN1; SMN2
SCHEMBL16689220 0.74 LMNA (0.69) FFAR1FFAR4PPARG

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