SCHEMBL7280731

SCHEMBL7280731

O=C(O)[C@H](Cc1ccccc1)Cc1cscn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
GPR142 Q7Z601 4/20 0.53
CPA1 P15085 7/20 0.50
CPA3 P15088 3/20 0.50
FOLH1 Q04609 2/20 0.50
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
SLC6A3 Q01959 1/20 0.44
MME P08473 1/20 0.44

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
SCHEMBL7437765 0.88 GPR142 (0.51) CYP1A2GPR142CPA1CPA3FOLH1
SCHEMBL7289773 0.80 CPA1 (0.46) GPR142CPA1CPA3FOLH1CPB1
SCHEMBL7289766 0.80 CPA1 (0.46) GPR142CPA1CPA3FOLH1CPB1
SCHEMBL4664822 0.78 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL2684255 0.77 GPR142 (0.76) GPR142
SCHEMBL5503113 0.77 SLC6A3 (0.52) GPR142FOLH1SLC6A3
SCHEMBL9565308 0.77 KDM4E (0.44) GPR142FOLH1SLC6A3
SCHEMBL22115491 0.76 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27291058 0.76 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9875948 0.76 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1

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