SCHEMBL30939707

SCHEMBL30939707

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.40
▸ NPY1R P25929 2/20 0.40
▸ NPY2R P49146 2/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ CRHR1 P34998 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ GLP1R P43220 2/20 0.39
▸ SCTR P47872 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ TLR2 O60603 3/20 0.38
▸ VIPR1 P32241 1/20 0.38
▸ VIPR2 P41587 1/20 0.38
▸ CALCR P30988 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
SCHEMBL29496723 0.95 CRHR1 (0.41) MC4RNPY1RNPY2RNPY4RCRHR1
SCHEMBL30904413 0.89 BACE1 (0.45) CRHR1CRHR2GLP1RSCTRVIPR1
SCHEMBL31256975 0.88 BACE1 (0.42) OPRM1OPRD1GLP1RSCTR
SCHEMBL29937026 0.88 ERAP2 (0.46) NPY1RNPY2RNPY4ROPRM1OPRK1
SCHEMBL30433042 0.87 CCNA2 (0.46) NPY1RNPY2RNPY4RCCNA2CDK2
SCHEMBL31472846 0.87 ERAP2 (0.43) MC4RNPY1RNPY2RNPY4ROPRK1
SCHEMBL31472847 0.87 ERAP2 (0.43) MC4RNPY1RNPY2RNPY4ROPRK1
SCHEMBL30906004 0.87 ERAP2 (0.44) NPY1RNPY2RNPY4ROPRK1
SCHEMBL29937046 0.87 ERAP2 (0.47) NPY1RNPY2RNPY4ROPRM1OPRK1
SCHEMBL29937022 0.87 ERAP2 (0.47) NPY1RNPY2RNPY4ROPRM1OPRK1

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-117964700-A Novel transmembrane polypeptide with dual functions of easing pain and resisting anxiety 中国人民解放军空军军医大学 2024-05-03 — — CN disclosed
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