SCHEMBL8995027

SCHEMBL8995027

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(CC)CC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HRH3 Q9Y5N1 6/20 0.53
GAA P10253 1/20 0.48
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PLA2G4B P0C869 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8994960 0.91 LMNA (0.50) NPC1LMNARAB9AALDH1A1MAPT
SCHEMBL8994940 0.86 MAPT (0.52) NPC1LMNARAB9AALDH1A1MAPT
SCHEMBL8994945 0.85 LTB4R (0.55) HRH3GAAHTTTP53TSHR
Hydrochloric Acid SCHEMBL8994944 0.83 PRSS1 (0.68) HRH3
SCHEMBL8995101 0.82 PDE10A (0.51) NPC1RAB9AHTTTP53TSHR
SCHEMBL20333167 0.82 PRMT1 (0.53) HRH3GAAHTTTP53TSHR
SCHEMBL7213360 0.82 TP53 (0.59) NPC1LMNARAB9AMAPTHRH3
SCHEMBL8994969 0.80 PRMT1 (0.51) HRH3GAAHTTTP53TSHR
SCHEMBL3743320 0.80 GAA (0.51) RAB9AGAATP53TSHRPLA2G4B
SCHEMBL8995072 0.79 MLYCD (0.46) LMNAALDH1A1HTTTP53TSHR

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