SCHEMBL7357404

SCHEMBL7357404

CC(C)CCCC(=O)N(O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA4 P43681 2/20 0.48
CHRNA1 P02708 2/20 0.45
CHRNG P07510 2/20 0.45
CHRNB1 P11230 2/20 0.45
CHRND Q07001 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LAP3 P28838 3/20 0.44
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
GRIA1 P42261 3/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
TACR2 P21452 1/20 0.42

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
SCHEMBL7364715 0.91 L3MBTL1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL7360065 0.86 MMP1 (0.51)
SCHEMBL7357715 0.85 NPC1 (0.49)
SCHEMBL7354243 0.85 NAALAD2 (0.52) L3MBTL1
SCHEMBL8749847 0.85 NAALAD2 (0.52) L3MBTL1
SCHEMBL7363512 0.84 MMP3 (0.45)
SCHEMBL7355504 0.84 TACR2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL7357691 0.83 CTSL (0.45)
SCHEMBL7357664 0.82 ALDH1A1 (0.54)
SCHEMBL7628056 0.82 MMP8 (0.51) L3MBTL1

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
EP-0667770-B1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARM (GB) 1997-03-19 EP disclosed
EP-0667770-A1 INHIBITION OF TNF PRODUCTION. BRITISH BIOTECH PHARM (GB) 1995-08-23 EP disclosed
WO-1994010990-A1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-05-26 WO disclosed