SCHEMBL31257886

SCHEMBL31257886

C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 1/20 0.60
▸ CCKBR P32239 1/20 0.60
▸ OPRD1 P41143 1/20 0.60
▸ KISS1R Q969F8 16/20 0.59
▸ NPBWR1 P48145 1/20 0.56

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
SCHEMBL30932708 0.91 KISS1R (0.62) KISS1R
SCHEMBL31256969 0.90 KISS1R (0.63) CCKARCCKBROPRD1KISS1RNPBWR1
SCHEMBL31141449 0.90 KISS1R (0.73) KISS1R
SCHEMBL30186443 0.90 KISS1R (0.60) OPRD1KISS1R
SCHEMBL29982283 0.89 KISS1R (0.62) KISS1R
SCHEMBL30401709 0.89 KISS1R (0.62) KISS1R
SCHEMBL31141447 0.88 NPBWR1 (0.66) CCKARCCKBROPRD1KISS1RNPBWR1
SCHEMBL30974278 0.87 IL23R (0.62) CCKARCCKBROPRD1
SCHEMBL29476554 0.87 KISS1R (0.55) KISS1R
SCHEMBL29476584 0.87 KISS1R (0.60) CCKARCCKBROPRD1KISS1RNPBWR1

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-119039443-A Anti-tumor antigen BAP31 monoclonal antibody, cy5-BAP31 direct labeling monoclonal antibody and application 中国人民解放军空军军医大学 2024-11-29 — — CN disclosed
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