SCHEMBL29351915

SCHEMBL29351915

CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 8/20 0.64
▸ NPY1R P25929 3/20 0.64
▸ NPY2R P49146 3/20 0.64
▸ NPY4R P50391 3/20 0.64
▸ GHSR Q92847 3/20 0.62
▸ IL23R Q5VWK5 3/20 0.61

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
SCHEMBL29527343 0.94 NPY1R (0.70) KISS1RNPY1RNPY2RNPY4RGHSR
SCHEMBL29500559 0.88 CCKBR (0.67) KISS1RNPY1RNPY2RNPY4RGHSR
SCHEMBL30771876 0.88 NPY1R (0.76) KISS1RNPY1RNPY2RNPY4RGHSR
SCHEMBL29707863 0.88 NPY1R (0.76) KISS1RNPY1RNPY2RNPY4RGHSR
SCHEMBL29708175 0.87 CCKBR (0.65) KISS1RNPY1RNPY2RNPY4R
SCHEMBL29550696 0.87 GHSR (0.67) KISS1RGHSR
SCHEMBL30297534 0.87 GHSR (0.69) KISS1RGHSRIL23R
SCHEMBL14922491 0.86 GHSR (0.77) GHSR
SCHEMBL29551302 0.86 GHSR (0.66) GHSRIL23R
SCHEMBL21664112 0.85 GHSR (0.58) KISS1RGHSRIL23R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417249-B1 DNA-CELL CONJUGATES UNIV CALIFORNIA (US) 2022-06-08 — — EP disclosed
CN-215595977-U Non-pressure-rise prevention device for oil pump of fan motor oil station 国家能源费县发电有限公司 2022-01-21 — — CN disclosed
Send feedback