SCHEMBL8296608

SCHEMBL8296608

O=C(O)c1ccnn1CCOC1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
MET P08581 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
P2RX3 P56373 6/20 0.36
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL24103862 0.93 MEN1 (0.55) MEN1KMT2AKDM4CL3MBTL1MET
SCHEMBL20565389 0.87 MEN1 (0.43) MEN1KMT2AKDM4CL3MBTL1MET
SCHEMBL5823151 0.85 KMT2A (0.42) MEN1KMT2AKDM4CL3MBTL1MET
SCHEMBL29001335 0.83 KMT2A (0.39) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL30420188 0.82 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1MET
SCHEMBL6167571 0.80 MEN1 (0.49) MEN1KMT2AKDM4CMETEP300
SCHEMBL4191329 0.79 MEN1 (0.45) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL4181795 0.79 MEN1 (0.45) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL30268686 0.79 KDM4C (0.46) MEN1KMT2AKDM4CL3MBTL1MET
SCHEMBL24103840 0.79 KMT2A (0.45) MEN1KMT2AKDM4CNPC1RAB9A

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-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed