SCHEMBL8080773

SCHEMBL8080773

CCOC(=O)C(N)CCCCCNC(C)=N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
DPP7 Q9UHL4 2/20 0.44
RRM1 P23921 1/20 0.41
NOD1 Q9Y239 3/20 0.41
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CPB2 Q96IY4 1/20 0.38
TSHR P16473 1/20 0.37
S1PR2 O95136 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 1/20 0.37
FAAH O00519 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL1841715 0.86 DPP7 (0.45) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL7974902 0.86 DPP7 (0.44) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL14090886 0.86 DPP7 (0.44) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12643957 0.86 KDM4E (0.48) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL27900093 0.86 KDM4E (0.48) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL594596 0.86 KDM4E (0.48) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL7911960 0.84 DPP7 (0.42) GNAI3GNAO1GNAI1DPP7RRM1
Hydrochloric Acid SCHEMBL28854822 0.84 KDM4E (0.47) GNAI3GNAO1GNAI1DPP7RRM1
Hydrochloric Acid SCHEMBL28854821 0.84 KDM4E (0.47) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL2717436 0.83 DPP7 (0.41) GNAI3GNAO1GNAI1DPP7RRM1

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 3 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 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