SCHEMBL31074247

SCHEMBL31074247

N=C(N)NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=N)N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.49
NPY4R P50391 9/20 0.48
NPY1R P25929 5/20 0.48
NPY2R P49146 4/20 0.48
NPY5R Q15761 4/20 0.48
DPP7 Q9UHL4 1/20 0.43
NRP1 O14786 4/20 0.43
FOLH1 Q04609 1/20 0.43
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 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
SCHEMBL30483977 0.99 NPY4R (0.50) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL25641690 0.96 NPY4R (0.53) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL288598 0.95 NPY4R (0.49) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29358630 0.95 NPY4R (0.49) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL7607432 0.95 NPY4R (0.49) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL288599 0.95 NPY4R (0.49) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31174187 0.95 NPY4R (0.49) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL10001721 0.93 NPY4R (0.53) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL12533211 0.93 NPY4R (0.53) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31264971 0.93 NPY4R (0.53) NOD1NPY4RNPY1RNPY2RNPY5R

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-2024149230-A1 NEUROPROTECTIVE PSD-95 POLYPEPTIDE INHIBITOR AND USE THEREOF 北京拓界生物医药科技有限公司 2024-07-18 WO disclosed