SCHEMBL6684780

SCHEMBL6684780

O=C1NCC1CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
NAAA Q02083 7/20 0.39
MMP1 P03956 4/20 0.37
MMP9 P14780 3/20 0.37
MMP7 P09237 2/20 0.37
MMP3 P08254 1/20 0.37
ASAH1 Q13510 1/20 0.37
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DAO P14920 1/20 0.33
P4HB P07237 1/20 0.33
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL6980239 0.80 CTSD (0.43) MAPTKMT2AATMMEN1MMP1
SCHEMBL4242937 0.70 KMT2A (0.36) MAPTKMT2AATMMEN1NAAA
SCHEMBL7702898 0.68 CA1 (0.46) KMT2ANOS1NOS2
SCHEMBL993726 0.68 CA1 (0.42) KMT2ANOS1NOS2
SCHEMBL21292118 0.67 MMP1 (0.41) MAPTKMT2AATMMEN1MMP1
SCHEMBL15543511 0.66 IDE (0.41) MAPTKMT2AATMMEN1NAAA
SCHEMBL28982756 0.66 IDE (0.41) MAPTKMT2AATMMEN1NAAA
SCHEMBL12130902 0.66
SCHEMBL25421886 0.66
SCHEMBL9781806 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed