SCHEMBL6976964

SCHEMBL6976964

CCN(CC(N)=O)c1cccc(C(=N)N)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.48
F10 P00742 5/20 0.48
PRSS1 P07477 6/20 0.46
PRSS2 P07478 6/20 0.46
PRSS3 P35030 6/20 0.46
C1S P09871 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
PLAU P00749 1/20 0.42
PLG P00747 2/20 0.41
PLAT P00750 1/20 0.41
F7 P08709 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL6967577 0.85 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL6981412 0.82 PTPN1 (0.53) F2F10PRSS1PRSS2PRSS3
SCHEMBL1029104 0.80 GFER (0.46) ALDH1A1CYP3A4
SCHEMBL6975241 0.79 C1S (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL6975281 0.78 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL3107249 0.78 ALDH1A1 (0.55) F2F10ALDH1A1CYP3A4
SCHEMBL6977273 0.78 PRSS1 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL3141234 0.77 MEN1 (0.50) ALDH1A1CYP3A4
SCHEMBL7363749 0.75 F2 (0.59) F2F10PRSS1PRSS2PRSS3
SCHEMBL2742811 0.74 ALDH1A1 (0.58) ALDH1A1CYP3A4

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-1284961-A1 GLYCINAMIDES MERCK PATENT GmbH (DE) 2003-02-26 EP disclosed
WO-2001092219-A1 GLYCINAMIDES MERCK PATENT GMBH (DE) 2001-12-06 WO disclosed