SCHEMBL1382012

SCHEMBL1382012

CC(C)N1CCC(NC(=O)c2nc3cc(C(=O)N4CC(O)C4)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.75
F2 P00734 2/20 0.62
KLK1 P06870 1/20 0.62

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
SCHEMBL1379820 0.90 F10 (0.81) F10F2KLK1
SCHEMBL1379061 0.89 F10 (0.79) F10F2KLK1
SCHEMBL3369769 0.89 F10 (0.59) F10F2KLK1
SCHEMBL1654301 0.89 F10 (0.78) F10F2KLK1
SCHEMBL6016943 0.88 F10 (0.57) F10F2KLK1
SCHEMBL1382472 0.86 F10 (0.74) F10F2KLK1
SCHEMBL6016911 0.86 F10 (0.74) F10F2KLK1
SCHEMBL1381027 0.86 F10 (0.74) F10F2KLK1
SCHEMBL1379456 0.85 F10 (0.73) F10F2KLK1
SCHEMBL3238972 0.85 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-4658940-B2 2011-03-23 JP claimed