SCHEMBL8994989

SCHEMBL8994989

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C3CCCCC3)c(OC)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.45
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TSHR P16473 2/20 0.37
LSS P48449 1/20 0.37
SLC6A9 P48067 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 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
SCHEMBL8995071 0.86 LTB4R (0.56) LTB4RTHRATHRBLTB4R2LSS
Hydrochloric Acid SCHEMBL8994980 0.86 LTB4R (0.56) LTB4RTHRATHRBLTB4R2LSS
SCHEMBL8994948 0.81 LTB4R (0.59) LTB4RTHRATHRBLTB4R2LSS
SCHEMBL8994910 0.79 LTB4R (0.55) LTB4RTHRATHRBLTB4R2TSHR
Hydrochloric Acid SCHEMBL8590502 0.78 LTB4R (0.48) LTB4RTHRATHRBLTB4R2TSHR
SCHEMBL8591184 0.78 LTB4R (0.48) LTB4RLTB4R2TSHR
Hydrochloric Acid SCHEMBL8589791 0.77 LTB4R (0.47) LTB4RTHRATHRBLTB4R2CYP1A2
SCHEMBL8994878 0.77 LTB4R (0.50) LTB4RTHRATHRBLTB4R2TSHR
Hydrochloric Acid SCHEMBL8593811 0.76 LTB4R (0.48) LTB4RTHRATHRBLTB4R2MAPT
Hydrochloric Acid SCHEMBL8593266 0.76 LTB4R (0.46) LTB4RTHRATHRBLTB4R2TSHR

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
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed