SCHEMBL6977273

SCHEMBL6977273

N=C(N)c1cccc(N(CC(N)=O)CC2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.41
F2 P00734 4/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
PLAU P00749 1/20 0.40
F10 P00742 5/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
OPRM1 P35372 7/20 0.39
OPRD1 P41143 7/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLG P00747 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL6976964 0.78 F2 (0.48) PRSS1F2PRSS2PRSS3PLAU
SCHEMBL7062388 0.75 F10 (0.58) PRSS1F2PRSS2PRSS3F10
SCHEMBL7121498 0.75 F10 (0.49) PRSS1F2PRSS2PRSS3F10
SCHEMBL6981412 0.74 PTPN1 (0.53) PRSS1F2PRSS2PRSS3PLAU
SCHEMBL6967577 0.74 F2 (0.44) PRSS1F2PRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL8119814 0.73 F10 (0.46) PRSS1F2PRSS2PRSS3F10
SCHEMBL7088555 0.72 HDAC1 (0.51) PRSS1PRSS2PRSS3PLAUF10
SCHEMBL8114685 0.72 F2 (0.52) PRSS1F2PRSS2PRSS3PLAU
SCHEMBL9071660 0.70 OPRM1 (0.46) OPRM1OPRD1
SCHEMBL1624321 0.69 F10 (0.51) PRSS1F2PRSS2PRSS3F10

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