SCHEMBL6827064

SCHEMBL6827064

N#Cc1cccc(-c2cc(C3CCCCC3)n(N)c(=O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.42
PLAT P00750 1/20 0.41
PGR P06401 5/20 0.40
BACE1 P56817 3/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
USP30 Q70CQ3 1/20 0.37
FFAR2 O15552 1/20 0.37
CTSC P53634 1/20 0.37
PSD A5PKW4 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36

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
SCHEMBL6826222 0.86 KCNH2 (0.38) PLATPGRHRH3CTSC
SCHEMBL6920288 0.82 L3MBTL1 (0.53)
SCHEMBL6923871 0.80 L3MBTL1 (0.54)
SCHEMBL6827991 0.78 KMO (0.50)
SCHEMBL6824274 0.74 BACE1 (0.43) BACE1HRH3
SCHEMBL6924508 0.74 L3MBTL1 (0.57) PLAT
SCHEMBL6823828 0.72 PGR (0.46) MCOLN3PGRDRD2DRD3HRH3
SCHEMBL6827346 0.72 ATM (0.42)
SCHEMBL6923317 0.71 L3MBTL1 (0.42)
SCHEMBL6823842 0.71 PDE4D (0.41)

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
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO claimed
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed