SCHEMBL7305937

SCHEMBL7305937

CN(C)CCCNC([NH])=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.52
KDM4E B2RXH2 4/20 0.47
PAOX Q6QHF9 1/20 0.46
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RX4 Q99571 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3754782 0.86
SCHEMBL78355 0.81 KDM4E (0.59) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL36169 0.81 DNM1 (0.55) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL9601867 0.81 KDM5A (0.42) DNM1ALDH1A1MEN1HTTKMT2A
SCHEMBL24485546 0.79 DNM1 (0.63) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL10608974 0.79 DNM1 (0.53) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL794226 0.79 DNM1 (0.53) DNM1KDM4EPAOXHPGDPOLB
Hydrochloric Acid SCHEMBL10730965 0.79 DNM1 (0.53) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL427283 0.79 KDM4E (0.61) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL24102742 0.77 DNM1 (0.52) DNM1KDM4EPAOXHPGDPOLB

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