SCHEMBL19696608

SCHEMBL19696608

NCCCCC(=O)N[C@H](CCCN)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.50
▸ TLR2 O60603 1/20 0.48
▸ NMT1 P30419 5/20 0.47
▸ NMT2 O60551 4/20 0.47
▸ ROCK2 O75116 3/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ AKT3 Q9Y243 1/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ FOLH1 Q04609 2/20 0.44
▸ NOD1 Q9Y239 4/20 0.43

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
SCHEMBL17955254 1.00 SLC6A5 (0.50) SLC6A5TLR2NMT1NMT2ROCK2
SCHEMBL13363677 0.95 SLC6A5 (0.56) SLC6A5TLR2NMT1NMT2ROCK2
SCHEMBL13374710 0.91 TLR2 (0.46) SLC6A5TLR2NMT1NMT2ROCK2
SCHEMBL9664082 0.90 SLC6A5 (0.59) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL15185893 0.89 SLC6A5 (0.48) SLC6A5TLR2NMT1NMT2ROCK2
SCHEMBL9666100 0.89 SLC6A5 (0.61) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL9666062 0.89 SLC6A5 (0.65) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL9666574 0.89 SLC6A5 (0.61) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL22821589 0.89 SLC6A5 (0.61) SLC6A5TLR2NMT1NMT2NOD1
SCHEMBL9667026 0.89 SLC6A5 (0.61) SLC6A5TLR2NMT1NMT2NOD1

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
US-9840537-B2 Selective delivery molecules and methods of use AVELAS BIOSCIENCES, INC. (US) 2017-12-12 — — US disclosed
Send feedback