SCHEMBL7215941

SCHEMBL7215941

Nc1cc2ccnc(Cl)c2cc1CN1CC[C@H](N)C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.46
F2 P00734 4/20 0.38
PLG P00747 3/20 0.38
PROC P04070 3/20 0.38
PLAT P00750 2/20 0.38
ROCK1 Q13464 3/20 0.34
ROCK2 O75116 1/20 0.34
KCNH2 Q12809 1/20 0.34
PRSS1 P07477 1/20 0.34
IDH1 O75874 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.30
F9 P00740 1/20 0.30
MAT2A P31153 1/20 0.30
PIM1 P11309 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
Hydrochloric Acid SCHEMBL7220011 0.99 F10 (0.45) F10F2PLGPROCPLAT
Hydrochloric Acid SCHEMBL7220013 0.99 F10 (0.45) F10F2PLGPROCPLAT
SCHEMBL6221902 0.88 F10 (0.56) F10F2ROCK1ROCK2KCNH2
SCHEMBL7215939 0.86 F10 (0.43) F10F2PLGPROCPLAT
SCHEMBL7214421 0.86 F10 (0.37) F10F2PLGPROCPLAT
SCHEMBL7415794 0.83 F10 (0.43) F10F2PLGPROCPLAT
SCHEMBL6221086 0.83 F10 (0.43) F10F2PLGPROCPLAT
Hydrochloric Acid SCHEMBL6222873 0.82 F10 (0.43) F10F2PLGPROCPLAT
Hydrochloric Acid SCHEMBL6222872 0.82 F10 (0.43) F10F2PLGPROCPLAT
Trifluoroacetic Acid SCHEMBL7453374 0.80 F10 (0.49) F10ROCK1ROCK2KCNH2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed