SCHEMBL8995101

SCHEMBL8995101

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.51
TSHR P16473 2/20 0.47
MCHR1 Q99705 2/20 0.47
PLAU P00749 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
LTA4H P09960 2/20 0.44
PLA2G4B P0C869 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 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
SCHEMBL8995072 0.85 MLYCD (0.46) TSHRHTTTP53PLA2G4B
Hydrochloric Acid SCHEMBL8994855 0.83 PRSS1 (0.61) PDE10APLAU
SCHEMBL8995027 0.82 NPC1 (0.54) TSHRHTTTP53NPC1POLB
SCHEMBL8994945 0.80 LTB4R (0.55) TSHRPLAUHTTTP53PLA2G4B
SCHEMBL7213360 0.77 TP53 (0.59) TSHRPLAUTP53NPC1RAB9A
SCHEMBL20333167 0.77 PRMT1 (0.53) TSHRPLAUHTTTP53
Hydrochloric Acid SCHEMBL9139776 0.76 HPGD (0.45) TP53
SCHEMBL8994960 0.76 LMNA (0.50) NPC1RAB9APLA2G4B
SCHEMBL8994969 0.76 PRMT1 (0.51) TSHRPLAUHTTTP53
Hydrochloric Acid SCHEMBL9118862 0.75 PDE10A (0.49) PDE10AMCHR1

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