SCHEMBL9643255

SCHEMBL9643255

O=C(O)n1nnnc1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.59
FAAH O00519 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TRPV1 Q8NER1 6/20 0.56
DAGLA Q9Y4D2 2/20 0.52
STAT5B P51692 1/20 0.46
HSD11B1 P28845 2/20 0.46

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
SCHEMBL2183633 0.83 MGLL (0.85) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL5274003 0.79 TRPV1 (0.53) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL11456469 0.77 KDM4C (0.62) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL1067246 0.77 ALDH1A1 (0.46) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL28339490 0.77 ALDH1A1 (0.46) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL2184828 0.75 MGLL (1.00) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL2092704 0.74 CNR2 (0.54) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL28099662 0.74 CNR2 (0.54) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL17460204 0.74 TRPV1 (0.61) MGLLFAAHALDH1A1TRPV1
SCHEMBL28017015 0.73 ALDH1A1 (0.44) MGLLFAAHALDH1A1TRPV1DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303478-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-09-30 EP disclosed
US-4820723-A FOR TREATMENT OF HYPERSENSITIVITY, ASTHMA, SHOCK OR CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1989-04-11 US disclosed
EP-0303478-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1989-02-15 EP disclosed