SCHEMBL8995025

SCHEMBL8995025

CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1Cl)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.63
LTB4R2 Q9NPC1 1/20 0.57
PRMT1 Q99873 3/20 0.52
F2 P00734 3/20 0.52
ST14 Q9Y5Y6 3/20 0.52
PLAU P00749 2/20 0.52
TMPRSS2 O15393 2/20 0.52
PRMT5 O14744 1/20 0.52
SLC22A2 O15244 1/20 0.52
SLC22A1 O15245 1/20 0.52
PTP4A3 O75365 1/20 0.52
SLC22A3 O75751 1/20 0.52
F10 P00742 1/20 0.52
PLG P00747 1/20 0.52
S100B P04271 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52

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 SCHEMBL8995049 0.99 LTB4R (0.62) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL7711184 0.88 LTB4R (0.64) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8995038 0.88 LTB4R (0.64) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8995077 0.87 LTB4R (0.63) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8995048 0.87 LTB4R (0.63) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8995036 0.86 LTB4R (0.48) LTB4RLTB4R2HTTPKM
SCHEMBL8995004 0.86 LTB4R (0.50) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8994927 0.85 LTB4R (0.47) LTB4RLTB4R2LMNARAB9ANPC1
Hydrochloric Acid SCHEMBL8994959 0.85 LTB4R (0.73) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8589819 0.85 LTB4R (0.64) LTB4RLTB4R2PRMT1F2ST14

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
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed