SCHEMBL6187569

SCHEMBL6187569

CN(C)CCCOc1ccccc1Cc1cc(CCC(=O)O)cc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.53
KDM4E B2RXH2 2/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 2/20 0.41
THRA P10827 1/20 0.40

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
SCHEMBL6185286 0.94 HRH1 (0.46) HRH1KDM4ETSHRMAOB
SCHEMBL6187276 0.93 HRH1 (0.45) HRH1KDM4ETSHRMAOB
SCHEMBL6185364 0.91 KDM4E (0.46) HRH1KDM4EMAOB
SCHEMBL6186189 0.89 HRH1 (0.45) HRH1KDM4EDRD2DRD1DRD4
SCHEMBL6184768 0.89 TSHR (0.44) HRH1KDM4ETSHRNPC1HPGD
SCHEMBL6188166 0.84 PTGER4 (0.52) THRA
SCHEMBL6182314 0.84 TSHR (0.45) HRH1KDM4ETSHRNPC1HPGD
SCHEMBL6185078 0.79 PPARG (0.53) LMNAHPGDRAB9A
SCHEMBL6186064 0.78 FFAR1 (0.48) HPGDRAB9A
SCHEMBL6182277 0.78 PTGER4 (0.53) DRD2THRA

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