SCHEMBL8526902

SCHEMBL8526902

COc1cc(C)c(S(=O)(=O)N(Cc2ccc(CNC(N)=O)cc2)[C@H](CCCNC(=N)N)C(N)=O)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 4/20 0.41
MMP8 P22894 4/20 0.41
MMP1 P03956 2/20 0.41
AVPR1B P47901 4/20 0.39
AVPR1A P37288 6/20 0.38
PLG P00747 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL28516145 0.77 AVPR1B (0.45) BMP1MMP8AVPR1BAVPR1APLG
SCHEMBL28516147 0.77 AVPR1B (0.45) BMP1MMP8AVPR1BAVPR1APLG
SCHEMBL8526348 0.77 PLG (0.40) PLGF2
SCHEMBL28860154 0.74 AVPR1B (0.39) BMP1MMP8MMP1AVPR1BAVPR1A
SCHEMBL28860152 0.74 AVPR1B (0.39) BMP1MMP8MMP1AVPR1BAVPR1A
SCHEMBL9329697 0.73 AVPR1B (0.52) BMP1AVPR1BAVPR1APLGF2
SCHEMBL28514278 0.71 AVPR1B (0.39) BMP1MMP8MMP1AVPR1BAVPR1A
SCHEMBL7898282 0.71 AVPR1B (0.54) BMP1AVPR1BAVPR1APLGF2
SCHEMBL1509780 0.71 AVPR1B (0.54) BMP1AVPR1BAVPR1APLGF2
SCHEMBL1509781 0.71 AVPR1B (0.54) BMP1AVPR1BAVPR1APLGF2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed