SCHEMBL8590303

SCHEMBL8590303

CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1OCC(=O)N(C)C)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.61
LTB4R2 Q9NPC1 1/20 0.55
PRMT1 Q99873 3/20 0.47
F2 P00734 3/20 0.47
ST14 Q9Y5Y6 3/20 0.47
PLAU P00749 2/20 0.47
PRMT5 O14744 1/20 0.47
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
TMPRSS2 O15393 1/20 0.47
PTP4A3 O75365 1/20 0.47
SLC22A3 O75751 1/20 0.47
F10 P00742 1/20 0.47
PLG P00747 1/20 0.47
S100B P04271 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
Hydrochloric Acid SCHEMBL8592246 0.99 LTB4R (0.60) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8594024 0.94 LTB4R (0.63) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8589819 0.91 LTB4R (0.64) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8589990 0.90 LTB4R (0.59) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8590611 0.90 LTB4R (0.63) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8593207 0.90 LTB4R (0.63) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8594463 0.90 LTB4R (0.58) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8592018 0.89 LTB4R (0.62) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8594960 0.89 LTB4R (0.59) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8593266 0.88 LTB4R (0.46) LTB4RLTB4R2POLBPKM

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 1 patent. 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