SCHEMBL8669822

SCHEMBL8669822

CNC(Oc1cccn2cc(C)nc12)c1c(Cl)ccc(C(=O)CNC(=O)CCN(C)C)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 8/20 0.34

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
Hydrochloric Acid SCHEMBL8665846 0.99 BDKRB2 (0.34) BDKRB2
SCHEMBL8667208 0.93 CENPE (0.35) BDKRB2
Hydrochloric Acid SCHEMBL8669829 0.92 CENPE (0.34) BDKRB2
Hydrochloric Acid SCHEMBL8666619 0.89 BDKRB2 (0.33) BDKRB2
SCHEMBL8671780 0.89 NPC1 (0.33) BDKRB2
Hydrochloric Acid SCHEMBL8671785 0.88 BDKRB2 (0.31) BDKRB2
Hydrochloric Acid SCHEMBL8669560 0.88 NPC1 (0.33) BDKRB2
SCHEMBL8667269 0.83
Hydrochloric Acid SCHEMBL8670790 0.83
Hydrochloric Acid SCHEMBL8668418 0.82

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