SCHEMBL5506403

SCHEMBL5506403

CCc1c(Cl)cc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cc3)CC2C)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.73
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
TSHR P16473 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL5506407 1.00 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4114814 1.00 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4126355 0.91 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4129501 0.86 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4124409 0.85 PTGDR2 (0.75) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4115050 0.85 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4129627 0.85 PTGDR2 (0.88) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4129626 0.85 PTGDR2 (0.88) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4116448 0.85 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4121617 0.85 PTGDR2 (1.00) PTGDR2MEN1KMT2ALMNASMN1; 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