SCHEMBL7225536

SCHEMBL7225536

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2ccccc2OCCN2CCC(c3nsc4cc(F)ccc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.42
TBXAS1 P24557 7/20 0.41
DRD2 P14416 5/20 0.40
HTR7 P34969 5/20 0.40
HTR6 P50406 5/20 0.40
HTR2A P28223 4/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL6182962 0.88 HTR2A (0.55) DRD2HTR7HTR6HTR2A
SCHEMBL6187862 0.85 HTR1D (0.46) HTR7HTR2A
SCHEMBL6184588 0.85 HTR2A (0.58) DRD2HTR7HTR6HTR2A
SCHEMBL6182991 0.82 HTR2A (0.53) TBXA2RDRD2HTR7HTR6HTR2A
SCHEMBL6186397 0.82 HTR1D (0.42) HTR7
SCHEMBL6183970 0.82 TBXA2R (0.56) TBXA2RTBXAS1
Hydrochloric Acid SCHEMBL7225841 0.82 HTR2A (0.52) DRD2HTR7HTR6HTR2AHTR1A
SCHEMBL6182420 0.81 ABCB1 (0.50) TBXA2RTBXAS1HTR7
SCHEMBL6183084 0.80 TBXA2R (0.54) TBXA2RTBXAS1
SCHEMBL7225705 0.79 HTR2A (0.56) DRD2HTR7HTR6HTR2AHTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541471-B1 Useful as a TXA2 receptor antagonist and a 5-HT2 receptor antagonist LES LABORATOIRES SERVIER (FR) 2003-04-01 US disclosed