SCHEMBL8994940

SCHEMBL8994940

CCOC(=N)c1ccccc1OCCCCCOc1ccc(C(=O)N(CC)CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
LMNA P02545 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
HRH3 Q9Y5N1 5/20 0.46
POLB P06746 1/20 0.44
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL8995027 0.86 NPC1 (0.54) MAPTLMNAL3MBTL1ALDH1A1NPC1
SCHEMBL8994960 0.82 LMNA (0.50) MAPTLMNAL3MBTL1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL8995003 0.81 PRSS1 (0.56) MAPTLMNAL3MBTL1HRH3MEN1
Hydrochloric Acid SCHEMBL8994944 0.75 PRSS1 (0.68) HRH3CHRM2ADRA2ASLC6A3OPRM1
SCHEMBL8995101 0.74 PDE10A (0.51) NPC1RAB9APOLBTSHR
SCHEMBL11630789 0.73 LMNA (0.48) MAPTLMNAL3MBTL1ALDH1A1MEN1
SCHEMBL9307381 0.73 LMNA (0.67) MAPTLMNAL3MBTL1ALDH1A1POLB
Hydrochloric Acid SCHEMBL9547438 0.73 LMNA (0.53) MAPTLMNAL3MBTL1ALDH1A1HRH3
SCHEMBL8994948 0.73 LTB4R (0.59)
SCHEMBL8994945 0.72 LTB4R (0.55) L3MBTL1HRH3MEN1KMT2ACHRM2

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 4 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-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP disclosed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed