SCHEMBL2490281

SCHEMBL2490281

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(N(C)C(=O)Cc1cccc(OC)c1)CC2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.48
CCR5 P51681 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR6 P50406 3/20 0.43
SIGMAR1 Q99720 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
SCHEMBL1904071 1.00 PTGDR2 (0.48) PTGDR2CCR5MEN1KMT2AHTR6
SCHEMBL1902491 0.92 PTGDR2 (0.47) PTGDR2HTR6
SCHEMBL1902489 0.92 PTGDR2 (0.47) PTGDR2HTR6
SCHEMBL1902668 0.91 PTGDR2 (0.50) PTGDR2CCR5HTR6
SCHEMBL2492121 0.91 PTGDR2 (0.50) PTGDR2CCR5HTR6
SCHEMBL1902659 0.90 PTGDR2 (0.46) PTGDR2HTR6
SCHEMBL1902660 0.90 PTGDR2 (0.46) PTGDR2HTR6
SCHEMBL1902591 0.89 HTR6 (0.49) PTGDR2CCR5HTR6
SCHEMBL2493589 0.89 HTR6 (0.49) PTGDR2CCR5HTR6
SCHEMBL1904643 0.86 PTGDR2 (0.48) 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 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