SCHEMBL9740778

SCHEMBL9740778

Nc1c(Br)cc(COc2ccc3c[c][nH]c3c2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
MAOB P27338 10/20 0.33
MAOA P21397 5/20 0.33
F2 P00734 2/20 0.33
ACHE P22303 1/20 0.32
RHEB Q15382 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL9740451 0.78 INSR (0.34)
SCHEMBL9740911 0.75 TUBB1 (0.57) MAOB
SCHEMBL9740797 0.75 MAOB (0.33) MAOBMAOARHEBCA12CA1
SCHEMBL9740598 0.74 CYP2D6 (0.39) ALOX5MAOBMAOAF2
SCHEMBL6955320 0.71 HPGD (0.53) CA12CA1CA7CA9
SCHEMBL694423 0.68 ALOX5 (0.62) ALOX5MAOBMAOA
SCHEMBL533492 0.66 MEN1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL5257014 0.64 DRD3 (0.54)
SCHEMBL20481932 0.63 MEN1 (0.45) MAOAF2ACHE
SCHEMBL207534 0.63 AHR (0.48)

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed