SCHEMBL7277423

SCHEMBL7277423

COC(=O)C(CC(C)C)CP(=O)(O)C(N)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 3/20 0.47
▸ LAP3 P28838 1/20 0.47
▸ DPEP1 P16444 5/20 0.39
▸ ERAP2 Q6P179 5/20 0.37
▸ ERAP1 Q9NZ08 3/20 0.37
▸ IL1RN P18510 2/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ MMP1 P03956 1/20 0.36

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
Bromide SCHEMBL10716158 0.99 ANPEP (0.46) ANPEPLAP3DPEP1ERAP2ERAP1
SCHEMBL9647220 0.86 ANPEP (0.65) ANPEPLAP3DPEP1ERAP2ERAP1
SCHEMBL9646994 0.76 DPEP1 (0.49) ANPEPLAP3DPEP1ERAP2METAP1
Hydrochloric Acid SCHEMBL10718561 0.76 ACE2 (0.48) ANPEPERAP2ERAP1LNPEPMMP1
SCHEMBL7283423 0.76 ACE2 (0.60) —
SCHEMBL10715976 0.75 DPEP1 (0.49) ANPEPDPEP1ERAP2METAP1MMP1
Hydrochloric Acid SCHEMBL7283296 0.74 DPEP1 (0.48) ANPEPDPEP1ERAP2METAP1MMP1
SCHEMBL7277428 0.72 CTSK (0.37) MMP1
SCHEMBL9645168 0.72 METAP1 (0.54) ANPEPLAP3DPEP1ERAP2METAP1
Bromide SCHEMBL10716005 0.71 CTSK (0.36) MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP disclosed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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