SCHEMBL7921780

SCHEMBL7921780

NC(=O)[C@H]1CCN(Cc2ccc3c(N)ccnc3c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
F10 P00742 9/20 0.38
NR4A2 P43354 1/20 0.36
SOS2 Q07890 1/20 0.36
GRM2 Q14416 9/20 0.36
NR1I2 O75469 2/20 0.36
KCNH2 Q12809 1/20 0.36
PLAT P00750 1/20 0.35
PROC P04070 1/20 0.35
PRSS1 P07477 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL6224791 1.00 MET (0.40) METF10NR4A2SOS2GRM2
Trifluoroacetic Acid SCHEMBL7915310 0.93 MET (0.40) METF10GRM2NR1I2KCNH2
Trifluoroacetic Acid SCHEMBL7923391 0.93 MET (0.40) METF10GRM2NR1I2KCNH2
SCHEMBL7921803 0.91 SMYD3 (0.40) METF10NR4A2PLATPROC
Trifluoroacetic Acid SCHEMBL7220554 0.85 MET (0.38) METF10NR4A2GRM2PLAT
SCHEMBL6221508 0.85 F10 (0.49) F10
SCHEMBL7374483 0.84 F10 (0.40) F10NR4A2SOS2F2
SCHEMBL7921783 0.84 F10 (0.40) F10NR4A2SOS2F2
SCHEMBL6224794 0.84 F10 (0.40) F10NR4A2SOS2F2
Hydrochloric Acid SCHEMBL7539533 0.83 F10 (0.40) F10NR4A2SOS2F2

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-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed