SCHEMBL29568549

SCHEMBL29568549

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.47
NPY1R P25929 9/20 0.47
NPY5R Q15761 8/20 0.47
NPY2R P49146 5/20 0.47
NOD1 Q9Y239 3/20 0.45
C3AR1 Q16581 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
SCHEMBL30395232 0.93 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL31078265 0.93 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL27632326 0.93 NOD1 (0.51) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL27632323 0.93 NOD1 (0.51) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL30943802 0.92 NOD1 (0.43) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL8000021 0.91 NOD1 (0.43) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL8000016 0.91 NOD1 (0.43) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL10001721 0.91 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL12533211 0.91 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL29947272 0.91 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RNOD1

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
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 EP disclosed