SCHEMBL8075932

SCHEMBL8075932

CCC(N)CCCCNC(C)=N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
RRM1 P23921 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PAOX Q6QHF9 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
S1PR2 O95136 5/20 0.30
S1PR1 P21453 5/20 0.30
S1PR3 Q99500 5/20 0.30
S1PR4 O95977 4/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL7877053 0.94 DPP7 (0.34) DPP7GNAI3GNAO1GNAI1SIRT6
SCHEMBL8067951 0.87 DPP7 (0.47) DPP7GNAI3GNAO1GNAI1SIRT6
SCHEMBL16138483 0.85 MEN1 (0.43) DPP7GNAI3GNAO1GNAI1SIRT6
SCHEMBL8067814 0.85 DPP7 (0.33) DPP7GNAI3GNAO1GNAI1SIRT6
SCHEMBL8084430 0.80 MEN1 (0.36) DPP7GNAI3GNAO1GNAI1SIRT6
SCHEMBL8065975 0.79 ITGB3 (0.38) DPP7GNAI3GNAO1GNAI1SIRT6
SCHEMBL7158448 0.78 MEN1 (0.40) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL18822222 0.78 MEN1 (0.40) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL171399 0.78 MEN1 (0.40) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL8067723 0.78 USP2 (0.30)

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-6143790-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US claimed
EP-0749418-B1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-08-30 EP claimed
WO-1995024382-A1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-14 WO claimed
US-6143790-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US disclosed
EP-0749418-B1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-08-30 EP disclosed
WO-1995024382-A1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-14 WO disclosed