SCHEMBL1616148

SCHEMBL1616148

Cc1ccc(C2CCCC(Br)C2=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.40
SLC6A2 P23975 5/20 0.39
SLC6A3 Q01959 5/20 0.39
SLC6A4 P31645 4/20 0.39
RIPK1 Q13546 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
ITGA5 P08648 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
CCR1 P32246 1/20 0.32
CCR2 P41597 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL1616175 0.82 PDE3B (0.34)
Bromide SCHEMBL1617255 0.81 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4RIPK1
SCHEMBL18418759 0.79 ALDH1A1 (0.40)
SCHEMBL17185966 0.79 ALDH1A1 (0.40)
SCHEMBL1616272 0.79 PDE2A (0.33)
SCHEMBL1138835 0.76 SLC6A2 (0.41) SIRT2SLC6A2SLC6A3SLC6A4RIPK1
SCHEMBL961105 0.74 LMNA (0.37) NPC1RAB9A
SCHEMBL1617268 0.74 CYP19A1 (0.36)
SCHEMBL17185879 0.73 PDE4A (0.46) RAB9A
SCHEMBL18418747 0.73 PDE4A (0.46) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed