SCHEMBL7219258

SCHEMBL7219258

NC[C@@H]1CCN(Cc2cccc3nc(Cl)ccc23)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.37
F10 P00742 6/20 0.37
F2 P00734 3/20 0.36
PLG P00747 3/20 0.36
PROC P04070 2/20 0.36
PRSS1 P07477 2/20 0.36
PLAT P00750 1/20 0.35
PDE7B Q9NP56 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
CXCR4 P61073 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HCRTR2 O43614 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL7214254 0.86 TSHR (0.32) PDE7BALDH1A1MAPK1KDM4ETSHR
SCHEMBL7213898 0.86 F10 (0.39) P2RX7F10F2PLGPROC
Hydrochloric Acid SCHEMBL7213582 0.85 F10 (0.38) P2RX7F10F2PLGPROC
Hydrochloric Acid SCHEMBL7213579 0.85 F10 (0.38) P2RX7F10F2PLGPROC
Trifluoroacetic Acid SCHEMBL7213074 0.82 GPR6 (0.35) F10F2
SCHEMBL7213893 0.82 P2RX7 (0.40) P2RX7F10F2PLGPROC
SCHEMBL7220633 0.81 F10 (0.42) P2RX7F10F2PLGPROC
SCHEMBL9461582 0.74 HDAC1 (0.45) ALDH1A1HPGDTSHR
SCHEMBL7214087 0.73 ACACB (0.42) P2RX7F10F2PLGPROC
SCHEMBL7541709 0.72 F10 (0.46) F10F2PLGPROCPRSS1

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
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed