SCHEMBL7288147

SCHEMBL7288147

O=C(C[C@@H](Cc1ccccc1)C(=O)O)NN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.53
CPA3 P15088 2/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
CYP1A2 P05177 1/20 0.50
FOLH1 Q04609 2/20 0.49
MMP8 P22894 1/20 0.48
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MME P08473 1/20 0.47
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7536026 0.91 MMP8 (0.45) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7536033 0.91 MMP8 (0.45) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7287460 0.88 LIPE (0.52) CYP1A2MMP8LMNAMEN1KMT2A
SCHEMBL7269457 0.81 FKBP1A (0.58) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7291450 0.81 FKBP1A (0.58) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7269464 0.81 FKBP1A (0.58) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL2680002 0.80 CPA3 (0.55) CPA3FOLH1MMP8MEN1KMT2A
SCHEMBL6790329 0.80 SMN1; SMN2 (0.59) CYP1A2LMNAMEN1KMT2AUSP2
SCHEMBL7288415 0.79 MAPK1 (0.62) MMP8LMNAMEN1KMT2AALDH1A1
SCHEMBL7281033 0.78 CPA1 (0.55) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
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
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US 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-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed