SCHEMBL8219680

SCHEMBL8219680

O=C(NC[C@@H]1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1)c1ccc(Cl)s1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.67
F2 P00734 3/20 0.59
ABCB11 O95342 1/20 0.53
ST14 Q9Y5Y6 1/20 0.53

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
SCHEMBL4587228 1.00 F10 (0.67) F10F2ABCB11ST14
SCHEMBL5479123 0.97 F10 (0.71) F10F2ABCB11ST14
SCHEMBL5640687 0.94 F10 (0.61) F10F2ABCB11ST14
SCHEMBL4587679 0.89 F10 (0.73) F10F2
SCHEMBL8210599 0.87 F10 (0.55) F10F2ABCB11ST14
SCHEMBL8245918 0.87 F10 (0.55) F10F2ABCB11ST14
SCHEMBL4594461 0.86 F10 (0.56) F10F2
SCHEMBL8092392 0.85 F10 (0.57) F10F2
SCHEMBL5642951 0.85 F10 (0.55) F10F2
SCHEMBL5638163 0.85 F10 (0.51) F10F2

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-2008022786-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-28 WO disclosed