SCHEMBL1902181

SCHEMBL1902181

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@@H](N(CC)C(=O)Cc1ccc(Cl)cc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.49
HTR6 P50406 2/20 0.42
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
SCHEMBL1902183 1.00 PTGDR2 (0.49) PTGDR2HTR6CCR5
SCHEMBL1901708 0.94 PTGDR2 (0.49) PTGDR2HTR6
SCHEMBL1901710 0.94 PTGDR2 (0.49) PTGDR2HTR6
SCHEMBL2488596 0.92 PTGDR2 (0.49) PTGDR2HTR6
SCHEMBL2488598 0.92 PTGDR2 (0.49) PTGDR2HTR6
SCHEMBL1901632 0.85 PTGDR2 (0.47) PTGDR2HTR6
SCHEMBL1901634 0.85 PTGDR2 (0.47) PTGDR2HTR6
SCHEMBL833555 0.85 PTGDR2 (0.68) PTGDR2
SCHEMBL833556 0.85 PTGDR2 (0.68) PTGDR2
SCHEMBL2491106 0.84 HTR6 (0.49) 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 2 patents. 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
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