SCHEMBL6228596

SCHEMBL6228596

CN1CCC(CCCOc2cc(CCNc3ncccc3C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)ccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
KDR P35968 10/20 0.44
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCB1 P08183 2/20 0.40
NR3C1 P04150 2/20 0.39
FLT1 P17948 1/20 0.38

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
SCHEMBL447944 0.93 KDR (0.51) KDRABCB1NR3C1FLT1
SCHEMBL448470 0.87 KDR (0.59) KDRABCB1NR3C1FLT1
SCHEMBL447411 0.85 KDR (0.52) KDRABCB1FLT1
SCHEMBL449191 0.85 KDR (0.49) KDRABCB1FLT1
SCHEMBL448294 0.82 KDR (0.53) KDRABCB1FLT1
SCHEMBL445127 0.81 KDR (0.51) KDRABCB1FLT1
SCHEMBL445521 0.81 KDR (0.51) MEN1MAPTKMT2AL3MBTL1LMNA
SCHEMBL6223105 0.81 MAPK14 (0.39) MEN1MAPTKMT2AL3MBTL1LMNA
SCHEMBL448915 0.81 KDR (0.49) KDRABCB1FLT1
SCHEMBL6247429 0.81 KDR (0.41) KDRABCB1FLT1

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-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed