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SCHEMBL7332264

SCHEMBL7332264

CC(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC([C]=O)C(C)C)C(O)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.43
▸ CPA1 P15085 2/20 0.42
▸ CPA2 P48052 2/20 0.42
▸ CPA4 Q9UI42 2/20 0.42
▸ BACE1 P56817 11/20 0.41
▸ CTSD P07339 1/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ TFPI P10646 1/20 0.40
▸ KISS1R Q969F8 4/20 0.39

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
SCHEMBL7331125 0.85 CTSD (0.43) CTSDKISS1R
SCHEMBL7325544 0.83 BACE1 (0.51) BACE1CTSD
SCHEMBL7332272 0.81 BACE1 (0.38) MAGI3BACE1CTSDBACE2
SCHEMBL7320110 0.75 CTSD (0.50) BACE1CTSD
SCHEMBL7328124 0.74 BACE1 (0.51) BACE1CTSD
SCHEMBL7330209 0.74 BACE1 (0.51) BACE1CTSD
SCHEMBL7328119 0.74 BACE1 (0.51) BACE1CTSD
SCHEMBL7326543 0.74 NMUR2 (0.41) CTSD
SCHEMBL31497390 0.73 BACE1 (0.60) BACE1CTSDBACE2TFPIKISS1R
SCHEMBL21128986 0.73 MAGI3 (0.51) MAGI3BACE1BACE2KISS1R

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP disclosed