SCHEMBL7307270

SCHEMBL7307270

CN(C)CCCNC[C]=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
PAOX Q6QHF9 1/20 0.47
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
DNM1 Q05193 2/20 0.36
ALOX15 P16050 1/20 0.35
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 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
SCHEMBL1264226 0.85
SCHEMBL15859 0.79 TDP1 (0.75) TDP1PAOXKDM4EALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL7104676 0.76 TDP1 (0.71) TDP1PAOXKDM4EALDH1A1KMT2A
SCHEMBL5129514 0.76 TDP1 (0.71) TDP1PAOXKDM4EALDH1A1KMT2A
SCHEMBL5131831 0.76 TDP1 (0.71) TDP1PAOXKDM4EALDH1A1KMT2A
SCHEMBL26967080 0.76 TDP1 (0.71) TDP1PAOXKDM4EALDH1A1KMT2A
SCHEMBL7782625 0.76 TDP1 (0.47) TDP1PAOXKDM4EKMT2AMEN1
SCHEMBL6141860 0.74 TDP1 (0.68) TDP1PAOXKDM4EALDH1A1KMT2A
SCHEMBL14943804 0.74 TDP1 (0.68) TDP1PAOXKDM4EALDH1A1KMT2A
SCHEMBL5131976 0.74 TDP1 (0.68) TDP1PAOXKDM4EALDH1A1KMT2A

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
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed