SCHEMBL6186397

SCHEMBL6186397

O=C(O)CCc1cc(CCc2ccccc2OCCN2CCC(c3nsc4cc(F)ccc34)CC2)cc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
KCNH2 Q12809 3/20 0.38
HRH2 P25021 7/20 0.38
HTR7 P34969 1/20 0.37
ABCB1 P08183 1/20 0.36

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
SCHEMBL6187862 0.90 HTR1D (0.46) HTR1DHTR1BKCNH2HRH2HTR7
SCHEMBL7235558 0.86 HTR2A (0.49) KCNH2
SCHEMBL6183391 0.83 HTR2A (0.53) KCNH2
SCHEMBL7225536 0.82 TBXA2R (0.42) HTR7
SCHEMBL7236592 0.80 DRD2 (0.53) HTR7
SCHEMBL6185121 0.80 ABCB1 (0.49) KCNH2ABCB1
SCHEMBL6182349 0.79 ABCB1 (0.58) KCNH2ABCB1
SCHEMBL1545312 0.78 HTR1D (0.50) HTR1DHTR1BHTR7
SCHEMBL6185937 0.78 DRD1 (0.51) KCNH2ABCB1
Hydrochloric Acid SCHEMBL1545002 0.77 HTR1D (0.49) HTR1DHTR1BHTR7

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