SCHEMBL8995044

SCHEMBL8995044

CCC(=O)N=NCc1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)c(O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.44
MAOA P21397 1/20 0.40
PPARD Q03181 1/20 0.39
LTB4R Q15722 1/20 0.39

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
SCHEMBL8995081 0.91 MAOB (0.45) MAOBMAOAPPARDLTB4R
SCHEMBL8994849 0.90 THRB (0.44) MAOBLTB4R
SCHEMBL8994916 0.81 LTB4R (0.46) MAOBMAOAPPARDLTB4R
SCHEMBL8994922 0.81 LTB4R (0.46) MAOBMAOAPPARDLTB4R
SCHEMBL8995040 0.81 LTB4R (0.46) MAOBMAOAPPARDLTB4R
SCHEMBL8994933 0.81 THRB (0.43) MAOBLTB4R
SCHEMBL8591163 0.78 MAOB (0.47) MAOBMAOAPPARDLTB4R
SCHEMBL9146446 0.77 MAOB (0.41) MAOBMAOALTB4R
SCHEMBL8590612 0.77 LTB4R (0.42) MAOBPPARDLTB4R
SCHEMBL8747961 0.76 GAA (0.53) MAOBMAOAPPARDLTB4R

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-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US claimed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US claimed