SCHEMBL2491407

SCHEMBL2491407

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@H](NC(=O)Cc1cccc(Cl)c1)CC2

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.50
SIGMAR1 Q99720 6/20 0.47
EPHX2 P34913 1/20 0.43
HTR6 P50406 1/20 0.41

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
SCHEMBL2491410 1.00 PTGDR2 (0.50) PTGDR2SIGMAR1EPHX2HTR6
Acetic Acid SCHEMBL1903492 0.98 PTGDR2 (0.49) PTGDR2SIGMAR1EPHX2HTR6
SCHEMBL2494025 0.93 PTGDR2 (0.48) PTGDR2SIGMAR1HTR6
SCHEMBL1905907 0.93 PTGDR2 (0.48) PTGDR2SIGMAR1HTR6
SCHEMBL1905910 0.93 PTGDR2 (0.48) PTGDR2SIGMAR1HTR6
SCHEMBL1903879 0.92 PTGDR2 (0.56) PTGDR2SIGMAR1
SCHEMBL1902259 0.91 PTGDR2 (0.50) PTGDR2SIGMAR1
SCHEMBL2488120 0.91 PTGDR2 (0.50) PTGDR2SIGMAR1
SCHEMBL2487589 0.89 PTGDR2 (0.49) PTGDR2SIGMAR1
SCHEMBL1904854 0.89 PTGDR2 (0.49) PTGDR2SIGMAR1HTR6

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