SCHEMBL5238399

SCHEMBL5238399

O=C(O)Oc1cc2[nH]c(-c3ccc(Cl)cc3)c(C3CCCCC3)c2s1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.37
GCGR P47871 1/20 0.37
CNR1 P21554 1/20 0.35
PTGDR2 Q9Y5Y4 8/20 0.34
PTGDR Q13258 5/20 0.34
PTGER2 P43116 1/20 0.34
PSD A5PKW4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CSF1R P07333 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL5230100 0.90 HTR2A (0.39) SLC6A3
SCHEMBL5231827 0.89 HTR2A (0.40) SLC6A3
SCHEMBL2997440 0.84 GCGR (0.40) GCGRCNR1PTGDR2PTGDRPTGER2
SCHEMBL3000692 0.83 SLC6A3 (0.40) SLC6A3GCGRCNR1PTGDR2PTGDR
SCHEMBL5227012 0.75 CYP3A4 (0.40) CNR1PTGDR2PTGDR
SCHEMBL2987900 0.74 HTR2A (0.39) SLC6A3
SCHEMBL2995670 0.74 HTR2A (0.42)
SCHEMBL13211532 0.73 PTGS1 (0.46) GCGRPTGDR2PTGDR
SCHEMBL2995078 0.73 HTR2A (0.39) SLC6A3
SCHEMBL5231212 0.73 HTR2A (0.39)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed