SCHEMBL1380852

SCHEMBL1380852

CC(C)N1CCC(NC(=O)c2cc3cc(OCCO)ncc3n2Cc2cc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.70
F2 P00734 3/20 0.70
KLK1 P06870 1/20 0.47

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
SCHEMBL1378041 0.94 F10 (0.70) F10F2KLK1
SCHEMBL1675180 0.83 F10 (1.00) F10F2KLK1
SCHEMBL1383059 0.81 F10 (0.74) F10F2KLK1
SCHEMBL4881026 0.81 CCR9 (0.45) F10F2
SCHEMBL1381429 0.81 F10 (0.89) F10F2
SCHEMBL4879595 0.76 CCR9 (0.46) F10F2
SCHEMBL1382203 0.75 F10 (1.00) F10F2
SCHEMBL4879177 0.74 F10 (0.42) F10F2
SCHEMBL15911304 0.73 F10 (0.78) F10F2KLK1
SCHEMBL1456067 0.71 F10 (0.63) F10F2KLK1

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
JP-4733642-B2 2011-07-27 JP claimed