SCHEMBL1904643

SCHEMBL1904643

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@@H](N(C)C(=O)Cc1ccccc1OC)CC2

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.48
HTR6 P50406 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
SCHEMBL2487579 1.00 PTGDR2 (0.48) PTGDR2HTR6
SCHEMBL1902118 0.92 MEN1 (0.47) PTGDR2HTR6
SCHEMBL1902116 0.92 MEN1 (0.47) PTGDR2HTR6
SCHEMBL1900532 0.90 PTGDR2 (0.48) PTGDR2HTR6
SCHEMBL1900531 0.90 PTGDR2 (0.48) PTGDR2HTR6
SCHEMBL1902668 0.86 PTGDR2 (0.50) PTGDR2HTR6
SCHEMBL2492121 0.86 PTGDR2 (0.50) PTGDR2HTR6
SCHEMBL1904071 0.86 PTGDR2 (0.48) PTGDR2HTR6
SCHEMBL2490281 0.86 PTGDR2 (0.48) PTGDR2HTR6
SCHEMBL833770 0.85 PTGDR2 (0.66) PTGDR2

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