SCHEMBL2493589

SCHEMBL2493589

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(N(C)C(=O)Cc1cccc(Cl)c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
PTGDR2 Q9Y5Y4 17/20 0.46
CCR5 P51681 1/20 0.45

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
SCHEMBL1902591 1.00 HTR6 (0.49) HTR6PTGDR2CCR5
SCHEMBL1902659 0.91 PTGDR2 (0.46) HTR6PTGDR2
SCHEMBL1902660 0.91 PTGDR2 (0.46) HTR6PTGDR2
SCHEMBL2488596 0.91 PTGDR2 (0.49) HTR6PTGDR2
SCHEMBL2488598 0.91 PTGDR2 (0.49) HTR6PTGDR2
SCHEMBL1904071 0.89 PTGDR2 (0.48) HTR6PTGDR2CCR5
SCHEMBL2490281 0.89 PTGDR2 (0.48) HTR6PTGDR2CCR5
SCHEMBL2491106 0.87 HTR6 (0.49) HTR6PTGDR2
SCHEMBL1900791 0.87 HTR6 (0.49) HTR6PTGDR2
SCHEMBL1906230 0.85 PTGDR2 (0.49) HTR6PTGDR2

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