SCHEMBL6186059

SCHEMBL6186059

CN(C)CCCOc1ccccc1CCCc1cc(CCN)cc(CCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.51
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
LMNA P02545 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 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
SCHEMBL6185574 0.95 HRH1 (0.52) HRH1LTB4RLTB4R2KDM4ELMNA
SCHEMBL6184510 0.92 KDM4E (0.50) HRH1LTB4RLTB4R2KDM4E
SCHEMBL6183446 0.89 HRH1 (0.51) HRH1KDM4ELMNADRD2DRD1
SCHEMBL6187276 0.83 HRH1 (0.45) HRH1LTB4RLTB4R2KDM4E
SCHEMBL7227176 0.79 TBXA2R (0.57)
SCHEMBL8702902 0.79 HRH1 (0.73) HRH1DRD2DRD1DRD4DRD5
SCHEMBL6185286 0.78 HRH1 (0.46) HRH1KDM4E
Hydrochloric Acid SCHEMBL8707461 0.78 HRH1 (0.71) HRH1DRD2DRD1DRD4DRD5
SCHEMBL6184959 0.77 ALDH1A1 (0.50) HRH1
SCHEMBL8703305 0.76 HRH1 (0.73) HRH1DRD2DRD1DRD4DRD5

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