SCHEMBL6182349

SCHEMBL6182349

O=C(O)CCc1cc(CCc2ccccc2OCCN2CCN(c3ccc(F)cc3)CC2)cc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.58
ADRA1D P25100 3/20 0.52
ADRA1A P35348 3/20 0.52
ADRA1B P35368 3/20 0.52
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 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
SCHEMBL6187774 0.96 ABCB1 (0.58) ABCB1ADRA1DADRA1AADRA1BDRD2
SCHEMBL6185121 0.88 ABCB1 (0.49) ABCB1DRD2DRD1DRD5DRD3
SCHEMBL6185937 0.87 DRD1 (0.51) ABCB1DRD1DRD5KCNH2KDM4E
SCHEMBL6185348 0.87 ABCB1 (0.60) ABCB1DRD2DRD1DRD5DRD3
SCHEMBL6185942 0.83 ABCB1 (0.60) ABCB1DRD2DRD1DRD5DRD3
SCHEMBL7236592 0.82 DRD2 (0.53) DRD2
SCHEMBL6185349 0.80 ABCB1 (0.53) ABCB1DRD2DRD1DRD5DRD3
SCHEMBL6186397 0.79 HTR1D (0.42) ABCB1KCNH2
SCHEMBL7235558 0.79 HTR2A (0.49) ADRA1ADRD2DRD1DRD3KCNH2
SCHEMBL6182420 0.79 ABCB1 (0.50) ABCB1

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