SCHEMBL6028894

SCHEMBL6028894

CN[C@@H](CN)C(=O)Nc1ccc(N2CCOCC2=O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.50
MTOR P42345 1/20 0.43

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
SCHEMBL5628639 1.00 F10 (0.50) F10MTOR
SCHEMBL5625537 0.91 F10 (0.49) F10MTOR
SCHEMBL5625813 0.91 F10 (0.49) F10MTOR
SCHEMBL5625820 0.91 F10 (0.49) F10MTOR
SCHEMBL5624743 0.91 F10 (0.49) F10MTOR
SCHEMBL5625719 0.90 F10 (0.51) F10MTOR
SCHEMBL5625534 0.90 F10 (0.49) F10MTOR
SCHEMBL5624658 0.90 F10 (0.51) F10MTOR
SCHEMBL5626291 0.90 F10 (0.48) F10MTOR
SCHEMBL5628908 0.90 F10 (0.48) F10MTOR

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
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 WO disclosed