SCHEMBL1900109

SCHEMBL1900109

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@@H](N(Cc1cccc3ccccc13)C(=O)CC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.42
HTR6 P50406 1/20 0.40

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
SCHEMBL1900111 1.00 PTGDR2 (0.42) PTGDR2HTR6
SCHEMBL1905172 0.93 PTGDR2 (0.44) PTGDR2HTR6
SCHEMBL1905174 0.93 PTGDR2 (0.44) PTGDR2HTR6
SCHEMBL1901327 0.90 PTGDR2 (0.44) PTGDR2HTR6
SCHEMBL1901324 0.90 PTGDR2 (0.44) PTGDR2HTR6
SCHEMBL1905222 0.89 OPRM1 (0.43) PTGDR2HTR6
SCHEMBL2492264 0.89 OPRM1 (0.43) PTGDR2HTR6
SCHEMBL1899137 0.87 PTGDR2 (0.42) PTGDR2HTR6
SCHEMBL1899135 0.87 PTGDR2 (0.42) PTGDR2HTR6
SCHEMBL1902739 0.87 PTGDR2 (0.40) 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