SCHEMBL6654557

SCHEMBL6654557

CC(=O)NCCN(C)[C@H]1CCN(c2c(-c3ccccc3)c(C)c(C#N)c3nc4ccccn4c23)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.37
MCHR1 Q99705 4/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
IDH1 O75874 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
USP30 Q70CQ3 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL6310382 0.91 CKS1B (0.37) CHRM4
SCHEMBL6311653 0.89 HRH3 (0.37) MCHR1HRH3
SCHEMBL6311937 0.80 PIK3CD (0.33) KDM4EPOLBMAPTTDP1HSD17B10
SCHEMBL6311792 0.77 AKT1 (0.40) KDM4EALDH1A1HPGD
SCHEMBL6312393 0.75 KDM4E (0.46) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL6319337 0.74 CSNK1E (0.35) KDM4EHSD17B10ALDH1A1HPGDIDH1
SCHEMBL6319498 0.74 PIK3CD (0.31) KDM4EHSD17B10
SCHEMBL6312100 0.74 MAPK8 (0.36) KDM4E
SCHEMBL6316795 0.73 EIF4E (0.35) HRH3
SCHEMBL6317942 0.73 KMT2A (0.38) KDM4EHSD17B10ALDH1A1HPGD

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
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed