SCHEMBL6919097

SCHEMBL6919097

CC1(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2c(-n3cncn3)ccc(Cl)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFD P00746 20/20 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
SCHEMBL6915116 0.86 CFD (0.41) CFD
Hydrochloric Acid SCHEMBL6922397 0.85 CFD (0.40) CFD
SCHEMBL6919094 0.84
SCHEMBL6919276 0.76 F2 (0.38) CFD
SCHEMBL6920455 0.76 F2 (0.41) CFD
SCHEMBL6918602 0.74 F2 (0.42) CFD
SCHEMBL6918596 0.74 F2 (0.42) CFD
SCHEMBL6919204 0.73 F2 (0.48) CFD
SCHEMBL6919213 0.73 F2 (0.48) CFD
SCHEMBL6915112 0.72 AAK1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed