SCHEMBL8555823

SCHEMBL8555823

CCOC(=O)NCCC(C)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
NR1H4 Q96RI1 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
SCHEMBL1857503 0.76 L3MBTL1 (0.41) MAPTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL10147776 0.75 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4GLA
SCHEMBL22281737 0.74 ALDH1A1 (0.53) ALDH1A1POLBGLAKMT2AL3MBTL1
SCHEMBL1863189 0.74 L3MBTL1 (0.42) MAPTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL31247911 0.73 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4GLA
SCHEMBL26198817 0.73 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL26198816 0.73 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL6542505 0.72 MAPT (0.47) MAPTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL9050615 0.72 HRH4 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4GLA
SCHEMBL12254883 0.71 ACHE (0.37) CHRNB2CHRNB4CHRNA3CHRNA4ACHE

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-0883613-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-12-16 EP disclosed
WO-1997029097-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-08-14 WO disclosed