SCHEMBL3670183

SCHEMBL3670183

Brc1ccc(N2CCCC(N3CCCC3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 10/20 0.53
L3MBTL3 Q96JM7 9/20 0.53
CHRNA7 P36544 1/20 0.48
HRH3 Q9Y5N1 2/20 0.46
MBTD1 Q05BQ5 3/20 0.45
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
TP53BP1 Q12888 2/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
HTR7 P34969 3/20 0.40
HTR6 P50406 1/20 0.40
HDAC4 P56524 1/20 0.39

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
SCHEMBL24681359 0.97 CHRNA7 (0.51) L3MBTL1L3MBTL3CHRNA7HRH3MBTD1
SCHEMBL29965093 0.93 HRH3 (0.52) L3MBTL1L3MBTL3CHRNA7HRH3MBTD1
SCHEMBL2326470 0.90 L3MBTL3 (0.62) L3MBTL1L3MBTL3CHRNA7HRH3MBTD1
SCHEMBL6367051 0.88 HRH3 (0.43) L3MBTL1L3MBTL3CHRNA7HRH3ADRA2A
SCHEMBL5225092 0.88 HRH3 (0.43) L3MBTL1L3MBTL3CHRNA7HRH3ADRA2A
SCHEMBL6365166 0.88 HRH3 (0.43) L3MBTL1L3MBTL3CHRNA7HRH3ADRA2A
SCHEMBL29104019 0.81 L3MBTL3 (0.81) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
SCHEMBL27800840 0.80 HDAC4 (0.48) L3MBTL1L3MBTL3MBTD1TP53BP1POLB
SCHEMBL27800639 0.80 HDAC4 (0.48) L3MBTL1L3MBTL3MBTD1TP53BP1POLB
SCHEMBL3666964 0.80 HDAC4 (0.48) L3MBTL1L3MBTL3MBTD1TP53BP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2237779-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2010-10-13 EP claimed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 WO claimed