SCHEMBL7280261

SCHEMBL7280261

CNC(=O)C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 6/20 0.66
▸ CPA3 P15088 3/20 0.66
▸ CPB1 P15086 1/20 0.66
▸ CPB2 Q96IY4 1/20 0.66
▸ CYP1A2 P05177 1/20 0.63
▸ MME P08473 2/20 0.57
▸ FOLH1 Q04609 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MMP1 P03956 1/20 0.56
▸ FCER2 P06734 1/20 0.56
▸ ANPEP P15144 2/20 0.55
▸ LTA4H P09960 1/20 0.55
▸ ECE1 P42892 1/20 0.55
▸ RNPEP Q9H4A4 1/20 0.54
▸ DNPEP Q9ULA0 1/20 0.54

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
SCHEMBL9739581 0.82 CPA1 (0.60) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL3844932 0.81 KMT2A (0.70) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL29889513 0.81 TRPA1 (0.56) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7322470 0.80 CPA1 (0.72) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7322467 0.80 CPA1 (0.72) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL2807018 0.80 MME (0.67) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7280073 0.80 CPA1 (0.57) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7434721 0.80 CPA1 (0.57) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL5688996 0.80 CPA1 (1.00) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL1915564 0.80 CPA1 (1.00) CPA1CPA3CPB1CPB2CYP1A2

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
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 — — US disclosed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 — — WO disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 — — WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 — — EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 — — EP disclosed
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