SCHEMBL30997455

SCHEMBL30997455

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.43
NPY1R P25929 7/20 0.43
NPY2R P49146 5/20 0.43
NPY5R Q15761 5/20 0.43
NOD1 Q9Y239 3/20 0.38
TGFBR1 P36897 1/20 0.36
TLR2 O60603 1/20 0.36
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
GNPAT O15228 1/20 0.36

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
SCHEMBL30997467 1.00 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL30997438 1.00 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL30997484 1.00 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL29700313 1.00 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL30997446 1.00 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL29669218 0.99 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL30571130 0.99 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL29576308 0.96 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RTGFBR1
SCHEMBL31522358 0.96 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL19554702 0.96 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RNOD1

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-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 US disclosed