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SCHEMBL30771876

SCHEMBL30771876

CC(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 3/20 0.76
▸ NPY2R P49146 3/20 0.76
▸ NPY4R P50391 3/20 0.76
▸ NPBWR1 P48145 8/20 0.68
▸ GHSR Q92847 1/20 0.64
▸ KISS1R Q969F8 1/20 0.62

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
SCHEMBL29707863 1.00 NPY1R (0.76) NPY1RNPY2RNPY4RNPBWR1GHSR
SCHEMBL29527343 0.93 NPY1R (0.70) NPY1RNPY2RNPY4RNPBWR1GHSR
SCHEMBL29500559 0.90 CCKBR (0.67) NPY1RNPY2RNPY4RNPBWR1GHSR
SCHEMBL31105561 0.89 GHSR (0.66) NPY1RNPY2RNPY4RNPBWR1GHSR
Ser-100 SCHEMBL27712482 0.88 IL23R (0.65) NPBWR1GHSRKISS1R
SCHEMBL13097862 0.88 IL23R (0.65) NPBWR1GHSRKISS1R
SCHEMBL14922491 0.88 GHSR (0.77) GHSR
SCHEMBL29351915 0.88 KISS1R (0.64) NPY1RNPY2RNPY4RGHSRKISS1R
SCHEMBL28882942 0.87 NPY1R (0.71) NPY1RNPY2RNPY4RNPBWR1KISS1R
SCHEMBL7027318 0.86 GHSR (0.68) NPY1RNPY2RNPY4RGHSR

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-20240002440-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS JPMORGAN CHASE BANK, N.A. 2024-01-04 — — US disclosed
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