Sugi Predict

Sugi Predict / Compounds / SCHEMBL4692510

SCHEMBL4692510

SCHEMBL4692510

CN(C)C(=O)N1CC(N)C(CNc2ccc(-n3ccccc3=O)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.47
▸ SYK P43405 1/20 0.35
▸ F2 P00734 2/20 0.35
▸ F11 P03951 2/20 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
SCHEMBL5432663 0.80 F10 (0.45) F10F2F11
SCHEMBL4746936 0.76 F10 (0.69) F10F2F11
SCHEMBL4692509 0.75 F10 (0.39) F10SYK
SCHEMBL4744598 0.73 F10 (0.61) F10F2F11
SCHEMBL4686841 0.71 F10 (0.65) F10F2F11
SCHEMBL3448108 0.69 KDM1A (0.49) F10SYK
SCHEMBL5436168 0.68 F10 (0.61) F10F2F11
SCHEMBL8268510 0.66 F10 (0.43) F10SYK
SCHEMBL5435577 0.66 F10 (0.54) F10
SCHEMBL27853866 0.65 F10 (0.43) F10

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
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 — — EP disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 — — EP disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 — — WO disclosed