SCHEMBL16628201

SCHEMBL16628201

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)NCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.41
▸ NPY5R Q15761 9/20 0.41
▸ NPY1R P25929 8/20 0.41
▸ NPY2R P49146 6/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.38
▸ TFPI P10646 1/20 0.37
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ QRFPR Q96P65 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL30874391 0.91 NPY4R (0.39) NPY4RNPY5RNPY1RNPY2RNMT2
SCHEMBL29720839 0.90 FOLH1 (0.46) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL31691754 0.89 NPY4R (0.42) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL30372208 0.89 NPY4R (0.42) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL31430114 0.89 TFPI (0.41) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL31670642 0.88 GNPAT (0.41) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL5954243 0.88 QRFPR (0.42) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL5954239 0.88 QRFPR (0.42) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL29591757 0.87 QRFPR (0.44) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL29630767 0.87 NPY4R (0.39) NPY4RNPY5RNPY1RNPY2RSIRT5

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-2015051052-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2015-04-09 — — WO disclosed
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