SCHEMBL765649

SCHEMBL765649

CC(O)c1ccc(Oc2ccc(CN)cc2)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.44
FFAR1 O14842 2/20 0.38
CSNK2A1 P68400 2/20 0.36
HSD11B1 P28845 1/20 0.36
TAAR5 O14804 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
UGT2B7 P16662 1/20 0.35
TTR P02766 1/20 0.34
OPRK1 P41145 1/20 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
SCHEMBL13904167 0.83 ST14 (0.44) ST14CSNK2A1TAAR5TAAR1
SCHEMBL12239033 0.80 SCN9A (0.42) ST14FFAR1
SCHEMBL12239019 0.79 ST14 (0.52) ST14TAAR1
SCHEMBL13904121 0.78 ROCK2 (0.49) ST14CSNK2A1TAAR5TAAR1OPRK1
SCHEMBL12239029 0.75 ST14 (0.50) ST14FFAR1TAAR1TTR
SCHEMBL12239036 0.75 ST14 (0.50) ST14TAAR1
SCHEMBL7677443 0.73 ABAT (0.48) TAAR1
SCHEMBL7372727 0.73 ABAT (0.48) TAAR1
SCHEMBL2778066 0.73 ABAT (0.48) TAAR1
SCHEMBL15192487 0.72 ALDH1A1 (0.50) UGT2B7

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-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed