SCHEMBL9646942

SCHEMBL9646942

N[C@@H](CC1CCCCC1)P(=O)(O)CC(=CC1CCCCC1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPEP1 P16444 10/20 0.63
GRIK1 P39086 2/20 0.51
GRIK2 Q13002 1/20 0.49
METAP1 P53582 1/20 0.39
GRIN2D O15399 5/20 0.35
GRIN3B O60391 5/20 0.35
GRIN1 Q05586 5/20 0.35
GRIN2A Q12879 5/20 0.35
GRIN2B Q13224 5/20 0.35
GRIN2C Q14957 5/20 0.35
GRIN3A Q8TCU5 5/20 0.35

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
SCHEMBL9647128 1.00 DPEP1 (0.63) DPEP1GRIK1GRIK2METAP1GRIN2D
SCHEMBL9647139 1.00 DPEP1 (0.63) DPEP1GRIK1GRIK2METAP1GRIN2D
SCHEMBL9645166 0.84 DPEP1 (0.63) DPEP1GRIK1METAP1GRIN2DGRIN3B
SCHEMBL9646018 0.84 DPEP1 (0.63) DPEP1GRIK1METAP1GRIN2DGRIN3B
SCHEMBL9647109 0.84 DPEP1 (0.63) DPEP1GRIK1METAP1GRIN2DGRIN3B
SCHEMBL9646250 0.80 GRIK1 (0.47) DPEP1GRIK1GRIK2
SCHEMBL9646228 0.80 GRIK1 (0.47) DPEP1GRIK1GRIK2
SCHEMBL9244392 0.79 GRIK1 (0.50) DPEP1GRIK1GRIK2
SCHEMBL9245892 0.79 GRIK1 (0.50) DPEP1GRIK1GRIK2
SCHEMBL9245717 0.79 GRIK1 (0.50) DPEP1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366469-A2 Phosphorus containing enzyme inhibitors MERCK & CO. INC. (US) 1990-05-02 EP claimed
US-5147867-A Bactericides, (carba)penicillins MERCK & CO., INC. (US) 1992-09-15 US disclosed
US-5145990-A Dehydropeptidase, carbapenicillin potentiation MERCK & CO., INC. (US) 1992-09-08 US disclosed
US-4962097-A IN COMBINATION WITH A CARBAPENEM OR PENEM ANTIBIOTIC MERCK & CO., INC. (US) 1990-10-09 US disclosed
EP-0366469-A2 Phosphorus containing enzyme inhibitors MERCK & CO. INC. (US) 1990-05-02 EP disclosed