SCHEMBL2492121

SCHEMBL2492121

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(N(C)C(=O)Cc1ccc(OC)cc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.50
HTR6 P50406 2/20 0.45
CCR5 P51681 1/20 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
SCHEMBL1902668 1.00 PTGDR2 (0.50) PTGDR2HTR6CCR5
SCHEMBL2490281 0.91 PTGDR2 (0.48) PTGDR2HTR6CCR5
SCHEMBL1904071 0.91 PTGDR2 (0.48) PTGDR2HTR6CCR5
SCHEMBL1900791 0.91 HTR6 (0.49) PTGDR2HTR6
SCHEMBL2491106 0.91 HTR6 (0.49) PTGDR2HTR6
SCHEMBL2488598 0.90 PTGDR2 (0.49) PTGDR2HTR6
SCHEMBL2488596 0.90 PTGDR2 (0.49) PTGDR2HTR6
SCHEMBL1904643 0.86 PTGDR2 (0.48) PTGDR2HTR6
SCHEMBL2487579 0.86 PTGDR2 (0.48) PTGDR2HTR6
SCHEMBL1902660 0.85 PTGDR2 (0.46) PTGDR2HTR6

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