SCHEMBL7280901

SCHEMBL7280901

CN(CCn1ccnc1)C(=O)C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.47
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
TBXAS1 P24557 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AGTR2 P50052 1/20 0.42

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
SCHEMBL6976760 1.00 REN (0.47) RENCPA1CPB1CPA3CPB2
SCHEMBL7079946 0.90 REN (0.42) RENCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL7426636 0.89 HRH4 (0.53) RENCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL7426640 0.81 CYP1A2 (0.44) CYP3A4CYP2D6CYP1A2CYP2C9ALOX15
SCHEMBL7298846 0.81 REN (0.46) RENCPA1CPB1CPA3CPB2
SCHEMBL6952096 0.80 REN (0.49) RENALDH1A1HPGDDUSP3PTPN5
SCHEMBL7302265 0.78 ANPEP (0.49) RENCPA1CPB1CPA3CPB2
SCHEMBL7326577 0.77 SIGMAR1 (0.51) CPA1CPB1CPA3CPB2CYP1A2
SCHEMBL7303707 0.77 SIGMAR1 (0.51) CPA1CPB1CPA3CPB2CYP1A2
SCHEMBL7280064 0.77 CPA1 (0.57) CPA1CPB1CPA3CPB2CYP1A2

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-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 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