SCHEMBL8995004

SCHEMBL8995004

CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1Cl)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.50
LTB4R2 Q9NPC1 1/20 0.48
PRMT1 Q99873 3/20 0.46
F2 P00734 3/20 0.46
ST14 Q9Y5Y6 2/20 0.46
PLG P00747 2/20 0.46
PLAU P00749 1/20 0.46
PRMT5 O14744 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
TMPRSS2 O15393 1/20 0.46
PTP4A3 O75365 1/20 0.46
SLC22A3 O75751 1/20 0.46
F10 P00742 1/20 0.46
S100B P04271 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46

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 SCHEMBL8994888 0.99 LTB4R (0.49) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8748028 0.89 RAB9A (0.47) LTB4RLTB4R2
SCHEMBL8748025 0.89 RAB9A (0.47) LTB4RLTB4R2
Hydrochloric Acid SCHEMBL9141516 0.89 LTB4R (0.50) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8995008 0.87 NR1H4 (0.39) LTB4RLTB4R2
SCHEMBL9699605 0.87 PRMT1 (0.56) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8591155 0.86 LTB4R (0.50) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8995025 0.86 LTB4R (0.63) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8995049 0.85 LTB4R (0.62) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8748089 0.84 THRA (0.42)

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