SCHEMBL2487589

SCHEMBL2487589

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.49
SIGMAR1 Q99720 4/20 0.42

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
SCHEMBL1902259 0.92 PTGDR2 (0.50) PTGDR2SIGMAR1
SCHEMBL2488120 0.92 PTGDR2 (0.50) PTGDR2SIGMAR1
SCHEMBL2491410 0.89 PTGDR2 (0.50) PTGDR2SIGMAR1
SCHEMBL2491407 0.89 PTGDR2 (0.50) PTGDR2SIGMAR1
SCHEMBL1898556 0.89 PTGDR2 (0.51) PTGDR2SIGMAR1
SCHEMBL1900499 0.89 PTGDR2 (0.51) PTGDR2SIGMAR1
SCHEMBL1898557 0.89 PTGDR2 (0.51) PTGDR2SIGMAR1
SCHEMBL1903879 0.89 PTGDR2 (0.56) PTGDR2SIGMAR1
Acetic Acid SCHEMBL1903492 0.88 PTGDR2 (0.49) PTGDR2SIGMAR1
SCHEMBL1905608 0.87 PTGDR2 (0.49) PTGDR2SIGMAR1

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-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed