SCHEMBL30668089

SCHEMBL30668089

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 12/20 0.70
▸ CCKBR P32239 5/20 0.63
▸ CCKAR P32238 1/20 0.63
▸ OPRD1 P41143 1/20 0.63
▸ IL23R Q5VWK5 3/20 0.60

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
SCHEMBL31141447 0.90 NPBWR1 (0.66) NPBWR1CCKBRCCKAROPRD1
SCHEMBL30974303 0.89 CCKBR (0.61) NPBWR1CCKBRCCKAROPRD1IL23R
SCHEMBL29595673 0.89 GLP1R (0.64) NPBWR1CCKBRCCKAROPRD1IL23R
SCHEMBL31514295 0.89 NPBWR1 (0.69) NPBWR1IL23R
SCHEMBL31141448 0.88 KISS1R (0.69) NPBWR1
SCHEMBL29593980 0.88 OPRD1 (0.68) NPBWR1CCKBRCCKAROPRD1
SCHEMBL31696777 0.88 IL23R (0.66) NPBWR1IL23R
SCHEMBL31461886 0.87 NPBWR1 (0.61) NPBWR1IL23R
SCHEMBL29973052 0.87 NPBWR1 (0.68) NPBWR1IL23R
SCHEMBL30209628 0.87 CCKBR (0.68) NPBWR1CCKBRCCKAROPRD1

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-117186233-A Mycobacterium tuberculosis c-di-AMP (adenosine triphosphate) catabolic enzyme monoclonal antibody as well as preparation method and application thereof 中国人民解放军空军军医大学 2023-12-08 — — CN disclosed
Send feedback