SCHEMBL29164082

SCHEMBL29164082

N=C(N)NCCC[C@H](NC(=O)C[C@@H](N)Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.43
▸ SSTR3 P32745 1/20 0.41
▸ NPY4R P50391 10/20 0.39
▸ NPY5R Q15761 8/20 0.39
▸ NPY1R P25929 7/20 0.39
▸ NPY2R P49146 5/20 0.39
▸ PDF Q9HBH1 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL29164081 0.90 IDE (0.43) NPY4RNPY5RNPY1RNPY2RRAB9A
SCHEMBL29163541 0.88 LMNA (0.41) NPY4RNPY5RNPY1RNPY2R
SCHEMBL29163540 0.82 SMN1; SMN2 (0.39) NPY4RNPY5RNPY1RNPY2RNPC1
SCHEMBL3688868 0.81 SSTR3 (0.52) SSTR3NPY4RNPY5RNPY1RNPY2R
SCHEMBL30073980 0.80 SSTR3 (0.47) SSTR3PDFMEN1KMT2A
Pabetan SCHEMBL4546522 0.80 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2R
Pabetan SCHEMBL21571465 0.80 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2R
Pabetan SCHEMBL14928984 0.80 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2R
Pabetan SCHEMBL29894618 0.80 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2R
Hydrochloric Acid SCHEMBL31023226 0.80 SSTR3 (0.51) SSTR3NPY4RNPY5RNPY1RNPY2R

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
CN-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 — — CN disclosed
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