SCHEMBL6281385

SCHEMBL6281385

COc1cccc(C(=O)N2c3ccccc3[C@@H](N(C(C)=O)c3ccccc3)CC2c2ccccc2)c1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.80
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4128275 1.00 PTGDR2 (0.80) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4128278 1.00 PTGDR2 (0.80) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4123105 0.89 PTGDR2 (1.00) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4129471 0.89 PTGDR2 (1.00) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4130194 0.89 PTGDR2 (1.00) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4114648 0.89 PTGDR2 (1.00) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4123776 0.86 PTGDR2 (0.78) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4123780 0.86 PTGDR2 (0.78) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4117050 0.83 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4117047 0.83 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNAHTT

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-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed