SCHEMBL14502136

SCHEMBL14502136

CCN(CC)c1ccc(N(C(C)=O)C2CC(C)N(C(=O)c3ccc(F)cc3)c3ccc(N(CC)CC)cc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 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
SCHEMBL5497241 0.91 PTGDR2 (0.50) PTGDR2MEN1KMT2A
SCHEMBL4122274 0.91 PTGDR2 (0.50) PTGDR2MEN1KMT2A
SCHEMBL4121805 0.91 PTGDR2 (0.50) PTGDR2MEN1KMT2A
SCHEMBL13776069 0.90 PTGDR2 (0.63) PTGDR2MEN1KMT2A
SCHEMBL4124172 0.86 PTGDR2 (0.53) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4124175 0.86 PTGDR2 (0.53) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4128526 0.85 PTGDR2 (0.57) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4128528 0.85 PTGDR2 (0.57) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4114085 0.84 PTGDR2 (0.80) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4114090 0.84 PTGDR2 (0.80) 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
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed