SCHEMBL2493728

SCHEMBL2493728

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@@H](NC(=O)[C@@H]1COc3ccccc3C1)CC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.46
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TP53 P04637 2/20 0.39
MAOB P27338 1/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL2493727 1.00 PTGDR2 (0.46) PTGDR2HDAC1HDAC2TP53MAOB
SCHEMBL1904540 0.88 PTGDR2 (0.49) PTGDR2
SCHEMBL1904539 0.88 PTGDR2 (0.49) PTGDR2
SCHEMBL1904003 0.82 MTNR1A (0.53) PTGDR2
SCHEMBL1904002 0.82 MTNR1A (0.53) PTGDR2
SCHEMBL1907504 0.81 PTGDR2 (0.47) PTGDR2
SCHEMBL2489729 0.81 PTGDR2 (0.47) PTGDR2
SCHEMBL1901890 0.81 PTGDR2 (0.53) PTGDR2
SCHEMBL1901892 0.81 PTGDR2 (0.53) PTGDR2
SCHEMBL1903879 0.81 PTGDR2 (0.56) 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 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