SCHEMBL8669110

SCHEMBL8669110

Cc1cn2cccc(OC(NC(=O)CNC(=O)N(C)C)c3c(Cl)ccc(Br)c3Cl)c2n1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 10/20 0.35

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
SCHEMBL8671788 0.90 BDKRB2 (0.33) BDKRB2
Hydrochloric Acid SCHEMBL8670170 0.89 MAPT (0.34) BDKRB2
SCHEMBL8669505 0.82 MAPT (0.34) BDKRB2
Hydrochloric Acid SCHEMBL8667760 0.81 MAPT (0.34) BDKRB2
Hydrochloric Acid SCHEMBL8666418 0.78 MAPT (0.35)
SCHEMBL8667208 0.74 CENPE (0.35) BDKRB2
Hydrochloric Acid SCHEMBL8669829 0.73 CENPE (0.34) BDKRB2
SCHEMBL8669822 0.73 BDKRB2 (0.34) BDKRB2
Hydrochloric Acid SCHEMBL8665846 0.73 BDKRB2 (0.34) BDKRB2
Hydrochloric Acid SCHEMBL8671785 0.71 BDKRB2 (0.31) BDKRB2

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-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed