SCHEMBL8593177

SCHEMBL8593177

CCOC(=O)CCCOc1cc(OCCCCCOc2ccc(/C(N)=N\C(=O)c3cccnc3)cc2)ccc1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.42
LTB4R Q15722 3/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
GRM2 Q14416 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8592502 0.91 LTB4R (0.42) TBXAS1LTB4RLMNAMAPTNFKB1
SCHEMBL8592331 0.88 LMNA (0.38) LTB4RLMNAMAPTNFKB1NFKB2
SCHEMBL8593180 0.86 TBXAS1 (0.42) TBXAS1LTB4RLMNAMAPTNFKB1
SCHEMBL8593367 0.86 LTB4R (0.46) LTB4RLMNAMAPTNPC1RAB9A
SCHEMBL8589588 0.84 LTB4R (0.39) LTB4RLMNAMAPTNFKB1NFKB2
SCHEMBL8994992 0.83 MAPT (0.47) LTB4RLMNAMAPTNFKB1NFKB2
SCHEMBL8593878 0.81 LTB4R (0.60) LTB4RLTB4R2
Hydrochloric Acid SCHEMBL8592764 0.80 LTB4R (0.59) LTB4RLTB4R2
SCHEMBL8589805 0.79 LTB4R (0.60) LTB4RLTB4R2
SCHEMBL8592789 0.79 LTB4R (0.39) LTB4RLMNAMAPTNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669909-B1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA GEIGY AG (CH) 1998-01-07 EP claimed
EP-0669909-B1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA GEIGY AG (CH) 1998-01-07 EP disclosed
US-5639768-A LEUKOTOTRIENE RECEPTOR ANTAGONIST; ANTINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-17 US disclosed
EP-0669909-A1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT Novartis AG (CH) 1995-09-06 EP disclosed
WO-1994011341-A1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA-GEIGY AG (CH) 1994-05-26 WO disclosed