SCHEMBL5229677

SCHEMBL5229677

N=C1OCCN1c1ccc(N(C(=O)c2nccnc2C(N)=O)c2ccc(Cl)cn2)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.31
KLKB1 P03952 1/20 0.31
PTGIR P43119 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL5238888 0.83 F2 (0.33) F10KLKB1
SCHEMBL4886660 0.80 ROCK2 (0.30)
SCHEMBL4881573 0.79 SCN9A (0.34) F10KLKB1
SCHEMBL4878211 0.69 F10 (0.47) F10KLKB1
Bromide SCHEMBL4885344 0.69 F10 (0.46) F10KLKB1
Hydrochloric Acid SCHEMBL4886675 0.69 F10 (0.46) F10KLKB1
SCHEMBL5322390 0.69 FPR2 (0.38)
SCHEMBL4884191 0.66 F10 (0.45) F10KLKB1
SCHEMBL4880798 0.66 RAB9A (0.38) F10
SCHEMBL4634556 0.65 F10 (0.38) F10KLKB1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819701-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-22 EP disclosed
WO-2006058630-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-08 WO disclosed