SCHEMBL6604976

SCHEMBL6604976

Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)N3CCc4cc(-c5ccccc5S(N)(=O)=O)ccc43)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
F2 P00734 4/20 0.76
F9 P00740 1/20 0.60
PLAU P00749 1/20 0.60
PROC P04070 1/20 0.60
CTRB1 P17538 1/20 0.60

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
SCHEMBL6603986 0.95 F10 (1.00) F10F2F9PLAUPROC
SCHEMBL6603523 0.94 F10 (1.00) F10F2F9PLAUPROC
SCHEMBL7471581 0.93 F10 (0.87) F10F2F9PLAUPROC
SCHEMBL6603294 0.92 F10 (0.85) F10F2F9PLAUPROC
SCHEMBL6606132 0.92 F10 (0.90) F10F2F9PLAUPROC
SCHEMBL6604247 0.91 F10 (0.84) F10F2F9PLAUPROC
SCHEMBL6603360 0.90 F10 (1.00) F10F2F9PLAUPROC
SCHEMBL6604675 0.89 F10 (0.81) F10F2F9PLAUPROC
SCHEMBL6604006 0.88 F10 (0.79) F10F2F9PLAUPROC
SCHEMBL6605707 0.88 F10 (0.83) F10F2F9PLAUPROC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196412-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-09 EP claimed
CN-1454211-A Nitrogen containing heterobicycles as factor xa inhibitors BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-11-05 CN claimed
EP-1196412-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-09 EP disclosed
CN-1454211-A Nitrogen containing heterobicycles as factor xa inhibitors BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-11-05 CN disclosed