SCHEMBL185656

SCHEMBL185656

NC1CC1.O=C(O)NCc1ncc(Nc2ccccc2C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.40
PTGS2 P35354 1/20 0.38
NR3C1 P04150 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
CNR2 P34972 1/20 0.36
GRIK1 P39086 1/20 0.36
PTK2 Q05397 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL185134 0.89 DHODH (0.45) DHODHHTTMEN1KMT2ASIRT2
SCHEMBL2805291 0.83 P2RX7 (0.39) PTGS2MEN1KMT2ASIRT2CNR2
SCHEMBL14865408 0.81 CYP2C9 (0.39) CNR2
SCHEMBL185954 0.80 DHODH (0.38) DHODHCNR2
SCHEMBL186072 0.79 DHODH (0.40) DHODHCNR2
SCHEMBL185930 0.78 EGFR (0.41) DHODHPTGS2HTTMEN1KMT2A
SCHEMBL186564 0.77 PTGS2 (0.41) DHODHPTGS2CNR2PTK2
SCHEMBL14865294 0.77 P2RX7 (0.36) DHODHHTTMEN1KMT2ACNR2
SCHEMBL185312 0.76 TAS2R14 (0.42) PTGS2SIRT2ALDH1A1GAATP53
SCHEMBL2806114 0.76 BDKRB1 (0.39) DHODHNR3C1HTTMEN1KMT2A

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