Sugi Predict

Sugi Predict / Compounds / SCHEMBL5501675

SCHEMBL5501675

SCHEMBL5501675

C[C@@H]1C[C@@H](NC(=O)OCc2ccccc2)c2ccccc2N1C(=O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.60
▸ LMNA P02545 1/20 0.50
▸ GFER P55789 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL4115600 1.00 PTGDR2 (0.60) PTGDR2LMNAGFERNPSR1
SCHEMBL4115596 1.00 PTGDR2 (0.60) PTGDR2LMNAGFERNPSR1
SCHEMBL4123301 0.90 PTGDR2 (0.59) PTGDR2LMNAGFERNPSR1
SCHEMBL5503246 0.90 PTGDR2 (0.59) PTGDR2LMNAGFERNPSR1
SCHEMBL4123305 0.90 PTGDR2 (0.59) PTGDR2LMNAGFERNPSR1
SCHEMBL4124840 0.89 PTGDR2 (0.58) PTGDR2LMNAGFERNPSR1
SCHEMBL4124845 0.89 PTGDR2 (0.58) PTGDR2LMNAGFERNPSR1
SCHEMBL4123997 0.87 PTGDR2 (0.51) PTGDR2LMNAGFERNPSR1
SCHEMBL4124003 0.87 PTGDR2 (0.51) PTGDR2LMNAGFERNPSR1
SCHEMBL4128082 0.86 PTGDR2 (0.54) PTGDR2LMNAGFERNPSR1

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-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 — — EP disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 — — WO disclosed