SCHEMBL5320809

SCHEMBL5320809

C[C@H]1CC(C(=O)O)c2ccccc2N1C(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL5269388 1.00 PTGDR2 (0.58) PTGDR2MEN1KMT2A
SCHEMBL5269392 1.00 PTGDR2 (0.58) PTGDR2MEN1KMT2A
SCHEMBL5269390 1.00 PTGDR2 (0.58) PTGDR2MEN1KMT2A
SCHEMBL6070504 0.86 PTGDR2 (0.56) PTGDR2MEN1KMT2A
SCHEMBL6070506 0.86 PTGDR2 (0.56) PTGDR2MEN1KMT2A
SCHEMBL5372886 0.86 PTGDR2 (0.56) PTGDR2MEN1KMT2A
SCHEMBL5318422 0.86 PTGDR2 (0.56) PTGDR2MEN1KMT2A
SCHEMBL6071132 0.85 MEN1 (0.56) PTGDR2MEN1KMT2A
SCHEMBL4123897 0.85 PTGDR2 (0.58) PTGDR2MEN1KMT2A
SCHEMBL5376563 0.85 MEN1 (0.56) PTGDR2MEN1KMT2A

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-1861372-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-05 EP disclosed
WO-2006091674-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-31 WO disclosed