SCHEMBL3954635

SCHEMBL3954635

O=C1NC2(C(=O)Nc3ccc(Cl)cc32)C(=O)N1Cc1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.39
IDO1 P14902 1/20 0.39
CBX7 O95931 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
CNR1 P21554 1/20 0.36
CHRM5 P08912 1/20 0.35
AKR1B1 P15121 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL2483991 0.84 CNR1 (0.51) PTGDR2CNR1KMT2A
SCHEMBL4167863 0.82 AKR1B1 (0.44) PTGDR2CHRM5AKR1B1
SCHEMBL3954631 0.79 IDO1 (0.41) IDO1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL2486352 0.77 PTGDR2 (0.62) PTGDR2IDO1AKR1B1
SCHEMBL4169840 0.75 LMNA (0.39) CHRM5AKR1B1MEN1KMT2AATM
SCHEMBL3957230 0.75 ALDH1A1 (0.39) PTGDR2CNR1AKR1B1KMT2A
SCHEMBL2484248 0.75 PTGDR2 (0.64) PTGDR2MEN1KMT2A
SCHEMBL4172070 0.72 SCN9A (0.44)
SCHEMBL4164402 0.72 ADAMTS5 (0.40) CHRM5AKR1B1
SCHEMBL4160449 0.72 AKR1B1 (0.45) PTGDR2CHRM5AKR1B1

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-2013216-A2 NOVEL SPIRO [IMIDAZOLIDINE-4, 3' -INDOLE] 2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 AstraZeneca AB (SE) 2009-01-14 EP claimed
WO-2007091948-A2 NOVEL SPIRO [IMIDAZOLIDINE-4, 3´-INDOLE] 2, 2´,5´(1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO claimed