SCHEMBL22133166

SCHEMBL22133166

N=C(N)NCCCC(NC(=O)CN)C(=O)NCC(=O)NC(CCCCN)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ROCK2 O75116 3/20 0.41
PRKACA P17612 1/20 0.41
AKT3 Q9Y243 1/20 0.41
NPY4R P50391 9/20 0.41
NPY1R P25929 8/20 0.41
NPY5R Q15761 8/20 0.41
NPY2R P49146 6/20 0.41
NMT2 O60551 2/20 0.40
NMT1 P30419 2/20 0.40
QRFPR Q96P65 1/20 0.39
NPBWR1 P48145 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
SCHEMBL22342260 0.99 TLR2 (0.43) TLR2SIRT6SIRT1ROCK2PRKACA
SCHEMBL31593243 0.92 SLC15A2 (0.43) TLR2SIRT6SIRT1ROCK2NPY4R
SCHEMBL29516817 0.91 TLR2 (0.48) TLR2SIRT6SIRT1ROCK2PRKACA
SCHEMBL22341243 0.91 SIRT6 (0.44) TLR2SIRT6SIRT1ROCK2PRKACA
SCHEMBL17930107 0.90 SLC15A2 (0.47) TLR2SIRT6SIRT1ROCK2NPY4R
SCHEMBL30758138 0.89 NPY4R (0.45) TLR2SIRT6SIRT1NPY4RNPY1R
SCHEMBL30819414 0.88 GNAI3 (0.46) TLR2NPY4RNPY1RNPY5RNPY2R
SCHEMBL31589116 0.88 NMT1 (0.41) TLR2SIRT6SIRT1ROCK2NPY4R
SCHEMBL15358627 0.87 TLR2 (0.40) TLR2SIRT6SIRT1ROCK2PRKACA
SCHEMBL12015094 0.87 QRFPR (0.40) NPY4RNPY1RNPY5RNPY2RQRFPR

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
WO-2020131282-A1 MITOCHONDRIA-TARGETING PEPTIDES STEALTH BIOTHERAPEUTICS CORP. (MC) 2020-06-25 WO disclosed