SCHEMBL3471032

SCHEMBL3471032

Clc1ccc(OC2=NN(c3ccc(OCCN4CCCCC4)cc3)CO2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.62
PTGS2 P35354 3/20 0.62
HRH3 Q9Y5N1 9/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS1 P23219 1/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 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
SCHEMBL14970686 0.78 LTA4H (0.87) LTA4HPTGS2HRH3MEN1KMT2A
SCHEMBL5438744 0.78 LTA4H (0.87) LTA4HPTGS2HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL14966884 0.77 LTA4H (0.84) LTA4HPTGS2HRH3MEN1KMT2A
SCHEMBL7819691 0.77 LTA4H (0.90) LTA4HPTGS2HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL3472541 0.72 LTA4H (0.58) LTA4HPTGS2HRH3MEN1KMT2A
SCHEMBL28285426 0.71 HRH3 (0.88) LTA4HPTGS2HRH3MEN1KMT2A
SCHEMBL7134872 0.70 LTA4H (1.00) LTA4HPTGS2HRH3
SCHEMBL27466778 0.70 LTA4H (0.38) LTA4HMEN1KMT2AMCHR1
SCHEMBL21004113 0.70 HRH3 (0.84) LTA4HPTGS2HRH3MEN1KMT2A
SCHEMBL11093348 0.69 HRH3 (1.00) LTA4HPTGS2HRH3MEN1KMT2A

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
WO-2010074587-A2 5-O-SUBSTITUTED 3-N-ARYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - PORTELA & CA., S.A. (PT) 2010-07-01 WO disclosed