SCHEMBL1901092

SCHEMBL1901092

CCS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.62
TBXA2R P21731 3/20 0.55
PTGDR Q13258 3/20 0.55
ABCB11 O95342 1/20 0.48
CYP2C9 P11712 1/20 0.48
DRD1 P21728 1/20 0.48
CCKAR P32238 1/20 0.48

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
SCHEMBL832936 0.93 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL832935 0.93 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL832527 0.91 PTGDR2 (0.66) PTGDR2TBXA2RPTGDR
SCHEMBL832526 0.91 PTGDR2 (0.66) PTGDR2TBXA2RPTGDR
SCHEMBL830820 0.91 PTGDR2 (0.70) PTGDR2TBXA2RPTGDR
SCHEMBL830821 0.91 PTGDR2 (0.70) PTGDR2TBXA2RPTGDR
SCHEMBL834132 0.89 PTGDR2 (0.66) PTGDR2TBXA2RPTGDR
SCHEMBL833109 0.89 PTGDR2 (0.66) PTGDR2TBXA2RPTGDR
SCHEMBL833110 0.89 PTGDR2 (0.66) PTGDR2TBXA2RPTGDR
SCHEMBL834123 0.88 PTGDR2 (0.67) PTGDR2TBXA2RPTGDR

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
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed