SCHEMBL5503246

SCHEMBL5503246

COc1ccc(C(=O)N2c3ccccc3[C@H](NC(=O)OCc3ccccc3)C[C@H]2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.59
P2RY1 P47900 2/20 0.55
LMNA P02545 3/20 0.49
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4123301 1.00 PTGDR2 (0.59) PTGDR2P2RY1LMNAGFERNPSR1
SCHEMBL4123305 1.00 PTGDR2 (0.59) PTGDR2P2RY1LMNAGFERNPSR1
SCHEMBL4115596 0.90 PTGDR2 (0.60) PTGDR2LMNAGFERNPSR1
SCHEMBL4115600 0.90 PTGDR2 (0.60) PTGDR2LMNAGFERNPSR1
SCHEMBL5501675 0.90 PTGDR2 (0.60) PTGDR2LMNAGFERNPSR1
SCHEMBL4124845 0.88 PTGDR2 (0.58) PTGDR2LMNAGFERNPSR1
SCHEMBL4124840 0.88 PTGDR2 (0.58) PTGDR2LMNAGFERNPSR1
SCHEMBL4124003 0.86 PTGDR2 (0.51) PTGDR2LMNAGFERNPSR1SMN1; SMN2
SCHEMBL4123997 0.86 PTGDR2 (0.51) PTGDR2LMNAGFERNPSR1SMN1; SMN2
SCHEMBL4128077 0.85 PTGDR2 (0.54) PTGDR2LMNAGFERNPSR1SMN1; SMN2

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