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SCHEMBL5643012

SCHEMBL5643012

COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)C#N)cc2)CC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 1.00
▸ F2 P00734 3/20 0.77
▸ SLC29A1 Q99808 1/20 0.68

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
SCHEMBL8354752 0.89 F10 (0.81) F10F2SLC29A1
SCHEMBL5641465 0.89 F10 (1.00) F10F2SLC29A1
SCHEMBL14348232 0.88 F10 (0.78) F10F2SLC29A1
SCHEMBL5643320 0.87 F10 (1.00) F10F2SLC29A1
SCHEMBL5643433 0.86 F10 (1.00) F10F2SLC29A1
SCHEMBL5644200 0.86 F10 (1.00) F10F2SLC29A1
SCHEMBL5642262 0.86 F10 (1.00) F10F2SLC29A1
SCHEMBL15174759 0.85 F10 (0.80) F10F2SLC29A1
SCHEMBL5641829 0.85 F10 (1.00) F10F2SLC29A1
SCHEMBL5643471 0.85 F10 (0.85) F10F2SLC29A1

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-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — WO disclosed