SCHEMBL29379340

SCHEMBL29379340

N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 2/20 0.59
▸ OPRD1 P41143 13/20 0.54
▸ OPRM1 P35372 7/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ ACE P12821 1/20 0.46
▸ CCKAR P32238 2/20 0.46
▸ CCKBR P32239 2/20 0.46
▸ APC P25054 1/20 0.46

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
SCHEMBL16486435 0.90 NAALAD2 (0.68) NAALAD2NPY1RNPY2RNPY4RACE
SCHEMBL29854480 0.90 NAALAD2 (0.68) NAALAD2NPY1RNPY2RNPY4RACE
SCHEMBL16486437 0.90 NAALAD2 (0.68) NAALAD2NPY1RNPY2RNPY4RACE
SCHEMBL29854515 0.90 NAALAD2 (0.68) NAALAD2NPY1RNPY2RNPY4RACE
SCHEMBL30584641 0.90 OPRD1 (0.55) NAALAD2OPRD1OPRM1OPRK1CCKAR
SCHEMBL31031528 0.89 NAALAD2 (0.55) NAALAD2OPRD1OPRM1OPRK1
SCHEMBL159463 0.89 NAALAD2 (0.69) NAALAD2NPY1RNPY2RNPY4RACE
SCHEMBL27412431 0.89 NAALAD2 (0.69) NAALAD2NPY1RNPY2RNPY4RACE
SCHEMBL159464 0.89 NAALAD2 (0.69) NAALAD2NPY1RNPY2RNPY4RACE
SCHEMBL31644345 0.89 OPRD1 (0.57) NAALAD2OPRD1OPRM1OPRK1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220165361-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-05-26 — — US claimed
CN-114127317-A Method of diagnosing disease 4D制药科克有限公司 2022-03-01 — — CN claimed
EP-3947744-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 — — EP claimed
US-20220165361-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-05-26 — — US disclosed
US-20220128556-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-04-28 — — US disclosed
CN-114127317-A Method of diagnosing disease 4D制药科克有限公司 2022-03-01 — — CN disclosed
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 — — CN disclosed
EP-3947743-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 — — EP disclosed
EP-3947744-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 — — EP disclosed
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