SCHEMBL185812

SCHEMBL185812

O=C(NCc1ccc(Nc2ccccc2C(F)(F)F)cc1)O[C@@]1(NC(=O)C2CCOC2)CCOC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.34
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
ITGA4 P13612 2/20 0.33
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGB1 P05556 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
PIP5K1B O14986 1/20 0.32
PIP5K1C O60331 1/20 0.32
PIK3CA P42336 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL186105 0.88 RAB9A (0.33) POLBITGA4EPHX2SMN1; SMN2CTDSP1
SCHEMBL186209 0.88 POLB (0.34) POLBITGA4EPHX2SMN1; SMN2CTDSP1
SCHEMBL185988 0.87 P2RX7 (0.33) POLBSCN9ACTDSP1HTTRECQL
SCHEMBL13128461 0.85 CTDSP1 (0.36) POLBKCNH2SCN5ASCN9AADAMTS4
SCHEMBL13159669 0.84 EPHX2 (0.42) POLBKCNH2SCN5ASCN9AEPHX2
SCHEMBL13159831 0.84 EPHX2 (0.42) POLBKCNH2SCN5ASCN9AEPHX2
SCHEMBL185629 0.82 POLB (0.36) POLBEPHX2SMN1; SMN2CTDSP1
SCHEMBL185869 0.82 ALDH1A1 (0.35) POLBSMN1; SMN2CTDSP1HTTPTK2
SCHEMBL185726 0.80 GAA (0.42) POLBEPHX2MAPK14PTK2
SCHEMBL185692 0.80 LMNA (0.39) POLBEPHX2SMN1; SMN2PTK2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed