SCHEMBL9928635

SCHEMBL9928635

CN1CCCN(c2ccc(C(=O)Nc3c(N)ccc(C(=O)c4ccc(Cl)cc4)c3O)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.63
KLKB1 P03952 1/20 0.51

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
SCHEMBL9928692 0.91 F10 (0.62) F10KLKB1
SCHEMBL5401884 0.91 F10 (0.62) F10KLKB1
SCHEMBL5395001 0.87 F10 (0.64) F10KLKB1
SCHEMBL5398861 0.86 F10 (0.53) F10KLKB1
SCHEMBL5407030 0.83 F10 (0.63) F10KLKB1
SCHEMBL5407352 0.83 F10 (0.53) F10KLKB1
SCHEMBL5410337 0.81 NPC1 (0.55) F10KLKB1
SCHEMBL2360325 0.78 F10 (0.74) F10KLKB1
SCHEMBL9979766 0.77 F10 (1.00) F10KLKB1
SCHEMBL3335278 0.77 F10 (0.70) F10KLKB1

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
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US claimed