SCHEMBL5504172

SCHEMBL5504172

CCCCCC(=O)NC1CC(C)N(C(=O)c2ccc(OC)cc2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.56
P2RY1 P47900 2/20 0.55
LMNA P02545 2/20 0.47
BRD4 O60885 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6289374 0.87 PTGDR2 (0.55) PTGDR2P2RY1LMNABRD4HDAC1
SCHEMBL6648773 0.80 NPSR1 (0.61) PTGDR2LMNABRD4HDAC1HDAC7
SCHEMBL5503246 0.79 PTGDR2 (0.59) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL4123305 0.79 PTGDR2 (0.59) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL4123301 0.79 PTGDR2 (0.59) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL4123726 0.78 PTGDR2 (0.80) PTGDR2
SCHEMBL6281754 0.77 PTGDR2 (0.56) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL4127033 0.77 PTGDR2 (0.56) PTGDR2P2RY1LMNASMN1; SMN2
SCHEMBL27622502 0.77 PTGDR2 (0.56) PTGDR2LMNASMN1; SMN2
SCHEMBL4116661 0.76 PTGDR2 (0.65) PTGDR2P2RY1

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