SCHEMBL1901475

SCHEMBL1901475

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(N(CCc1ccccc1)C(=O)Cc1cccc3ccccc13)CC2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.42
CYP2C9 P11712 1/20 0.40
HTR6 P50406 1/20 0.39
PTGER2 P43116 1/20 0.38

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
SCHEMBL1901472 1.00 PTGDR2 (0.42) PTGDR2CYP2C9HTR6PTGER2
SCHEMBL1899630 0.91 PTGDR2 (0.44) PTGDR2CYP2C9HTR6
SCHEMBL1899628 0.91 PTGDR2 (0.44) PTGDR2CYP2C9HTR6
SCHEMBL2487581 0.90 PTGDR2 (0.42) PTGDR2CYP2C9HTR6
SCHEMBL2492264 0.89 OPRM1 (0.43) PTGDR2HTR6PTGER2
SCHEMBL1905222 0.89 OPRM1 (0.43) PTGDR2HTR6PTGER2
SCHEMBL1902864 0.88 PTGDR2 (0.46) PTGDR2HTR6
SCHEMBL1902865 0.88 PTGDR2 (0.46) PTGDR2HTR6
SCHEMBL1899238 0.86 PTGDR2 (0.47) PTGDR2HTR6
SCHEMBL1899234 0.86 PTGDR2 (0.47) 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