SCHEMBL5041015

SCHEMBL5041015

FC(F)(F)c1ccc([CH]Cc2ccc(C#Cc3ccc(OCc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.50
AR P10275 1/20 0.47
PTPN1 P18031 4/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
PTPN6 P29350 2/20 0.43
PTPN11 Q06124 2/20 0.43
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPRB P23467 1/20 0.42
CDC25A P30304 1/20 0.42
PSEN1 P49768 1/20 0.42
FFAR1 O14842 2/20 0.42
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL8676362 0.83 LMNA (0.56) MAOBFFAR1
SCHEMBL6721633 0.82 MAOB (0.55) MAOBARPTPN1MRGPRX4PTPN6
SCHEMBL1854031 0.81 BCHE (0.66) MAOBAR
SCHEMBL255002 0.80 MAOB (0.69) MAOBARPTPN1MRGPRX4PTPN6
SCHEMBL4811925 0.80 ALDH1A1 (0.48) MAOB
SCHEMBL1854030 0.79 MAOB (0.50) MAOBARMRGPRX4FFAR1
SCHEMBL1850966 0.77 L3MBTL1 (0.62) MAOBARMRGPRX4
SCHEMBL2873573 0.77 MAOB (0.69) MAOBARPTPN1MRGPRX4PTPN6
SCHEMBL28757558 0.77 ALDH1A1 (0.48) MAOB
SCHEMBL27696302 0.76 F2 (0.54) MAOB

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed