SCHEMBL6183446

SCHEMBL6183446

CN(C)CCOc1ccccc1CCc1cc(CCN)cc(CCC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.51
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
KDM4E B2RXH2 4/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL6185574 0.94 HRH1 (0.52) HRH1KDM4ELMNA
SCHEMBL6184510 0.94 KDM4E (0.50) HRH1KDM4E
SCHEMBL6186059 0.89 HRH1 (0.51) HRH1DRD2DRD1DRD4DRD5
SCHEMBL6186189 0.83 HRH1 (0.45) HRH1DRD2DRD1DRD4DRD5
SCHEMBL6185595 0.81 LMNA (0.56) KDM4ELMNAALDH1A1
SCHEMBL6184672 0.80 ABCB1 (0.53) HRH1DRD2DRD1DRD4DRD5
SCHEMBL6186223 0.78 TBXA2R (0.59)
SCHEMBL6185286 0.78 HRH1 (0.46) HRH1KDM4E
SCHEMBL11244476 0.78 DRD2 (0.74) HRH1DRD2DRD1DRD4DRD5
SCHEMBL6184251 0.77 DRD1 (0.55) HRH1DRD1DRD4DRD5KDM4E

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