SCHEMBL13093409

SCHEMBL13093409

C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3OCC(=O)NCCOC)cccc12

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 19/20 0.47
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL12711488 0.86 BDKRB2 (0.51) BDKRB2
SCHEMBL14038585 0.84 BDKRB2 (0.57) BDKRB2
SCHEMBL12711809 0.84 BDKRB2 (0.46) BDKRB2
SCHEMBL13093059 0.83 BDKRB2 (0.47) BDKRB2
SCHEMBL13093418 0.82 BDKRB2 (0.50) BDKRB2HPGDTSHR
SCHEMBL12711825 0.82 BDKRB2 (0.49) BDKRB2
SCHEMBL13093405 0.82 BDKRB2 (0.49) BDKRB2
SCHEMBL12711395 0.81 BDKRB2 (0.52) BDKRB2
SCHEMBL13093009 0.81 BDKRB2 (0.52) BDKRB2
SCHEMBL12711858 0.81 BDKRB2 (0.47) BDKRB2TSHR

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
EP-2144897-B1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-10-20 EP disclosed