SCHEMBL7133285

SCHEMBL7133285

C=C[C@H](c1cccc(Br)c1)N1CCc2cccc(OCc3ccccc3)c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
CHRNA7 P36544 2/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CARM1 Q86X55 1/20 0.35
CCR5 P51681 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL7139327 1.00 MAOB (0.39) MAOBCHRNA7SLC6A4SLC6A2HRH3
SCHEMBL7133283 1.00 MAOB (0.39) MAOBCHRNA7SLC6A4SLC6A2HRH3
SCHEMBL7135913 0.81 MAOB (0.38) MAOBCHRNA7SLC6A4SLC6A2HRH3
SCHEMBL8534018 0.81 MAOB (0.38) MAOBCHRNA7SLC6A4SLC6A2HRH3
SCHEMBL7140321 0.81 SLC6A2 (0.45) MAOBCHRNA7SLC6A4SLC6A2HRH3
SCHEMBL7137289 0.81 MAOB (0.38) MAOBCHRNA7SLC6A4SLC6A2HRH3
SCHEMBL7136382 0.81 SLC6A2 (0.45) MAOBCHRNA7SLC6A4SLC6A2HRH3
SCHEMBL7132224 0.75 CHRNA7 (0.33) MAOBCHRNA7SLC6A4SLC6A2HRH3
SCHEMBL8791980 0.75 SLC18A3 (0.39) MAOBCHRNA7HRH3CARM1PRMT5
SCHEMBL4715366 0.73 SLC6A2 (0.44) CHRNA7SLC6A4SLC6A2HRH3L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509476-B1 Leukotriene antagonists; antiallergens, antiinflammatory agents, and antiasthmatic agents THE UNIVERSITY OF EAST ANGLIA (GB) 2003-01-21 US disclosed
US-6160120-A Process for preparing n-benzyl indoles ELI LILLY AND COMPANY (US) 2000-12-12 US disclosed
US-5807866-A Process for preparing N-benzyl indoles THE UNIVERSITY OF EAST ANGLIA (GB) 1998-09-15 US disclosed
EP-0775694-A2 Process for preparing N-benzyl indoles University of East Anglia (GB) 1997-05-28 EP disclosed