SCHEMBL7280848

SCHEMBL7280848

CCN(CC)CCCNC(=O)C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
GAA P10253 1/20 0.63
CPA1 P15085 3/20 0.49
CPB1 P15086 1/20 0.49
CPA3 P15088 1/20 0.49
CPB2 Q96IY4 1/20 0.49
APP P05067 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 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
SCHEMBL7430223 0.90 GAA (0.60) LMNAGAAAPPKMT2AMEN1
SCHEMBL9554486 0.81 CPA1 (0.60) LMNACPA1CPB1CPA3CPB2
SCHEMBL9554490 0.81 CPA1 (0.60) LMNACPA1CPB1CPA3CPB2
SCHEMBL2804430 0.77 CPA1 (0.63) LMNACPA1CPB1CPA3CPB2
SCHEMBL38656098 0.77 CYP1A2 (0.59) LMNACPA1CPB1CPA3CPB2
SCHEMBL7280854 0.75 CPA1 (0.53) LMNACPA1CPB1CPA3CPB2
SCHEMBL12935849 0.75 GAA (0.48) LMNAGAAKMT2AMEN1ALDH1A1
SCHEMBL7302260 0.75 KDM4E (0.55) LMNAGAACPA1CPB1CPA3
SCHEMBL127790 0.74 HPGD (0.60) LMNAGAAKMT2AMEN1ALDH1A1
SCHEMBL7303703 0.74 ALDH1A1 (0.59) LMNAGAACPA1CPB1CPA3

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 6 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
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP 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