SCHEMBL7611809

SCHEMBL7611809

CCC(OCCBr)Oc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
KCNA3 P22001 1/20 0.33
GAA P10253 1/20 0.33
SLC6A4 P31645 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL10724742 0.85 LTA4H (0.40) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5503141 0.81 LTA4H (0.41) LTA4HSLC6A4TSHRALDH1A1MTNR1A
SCHEMBL2186074 0.80 CA4 (0.42) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
Ammonia Solution, Strong SCHEMBL9245393 0.78 LTA4H (0.40) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4833131 0.78 KDM4E (0.39) CHRNB4CHRNA3KCNA3GAASLC6A4
SCHEMBL11300899 0.77 TSHR (0.41) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11143140 0.77 CA4 (0.44) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7931227 0.75 CA4 (0.35) LTA4HSLC6A4TSHRALDH1A1MTNR1A
SCHEMBL15509335 0.74 LTA4H (0.38) LTA4HGAASLC6A4TSHRALDH1A1
SCHEMBL11658593 0.72 SLC6A4 (0.39) LTA4HKCNA3SLC6A4TSHRALDH1A1

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-0858445-B1 NEW [(3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS ASTRAZENECA AB (SE) 2002-03-27 EP disclosed