SCHEMBL14502015

SCHEMBL14502015

CCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2c(C)noc2C)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.58
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
TSHR P16473 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52

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
SCHEMBL4124033 0.90 PTGDR2 (0.68) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4124034 0.90 PTGDR2 (0.68) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4128853 0.84 PTGDR2 (0.59) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6278727 0.84 PTGDR2 (0.59) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4128847 0.84 PTGDR2 (0.59) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4132877 0.84 PTGDR2 (0.58) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4132875 0.84 PTGDR2 (0.58) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4123926 0.82 PTGDR2 (0.82) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4138016 0.81 PTGDR2 (0.60) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4138012 0.81 PTGDR2 (0.60) PTGDR2LMNASMN1; SMN2MEN1KMT2A

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