SCHEMBL185068

SCHEMBL185068

O=C(N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1)Oc1cccc(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TRPV1 Q8NER1 5/20 0.34
FAAH O00519 3/20 0.34
AURKA O14965 1/20 0.34
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2 Q05397 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
SCHEMBL185828 0.93 CTDSP1 (0.34) P2RX7CTDSP1TRPV1FAAHAURKA
SCHEMBL2809802 0.88 IDO1 (0.35) P2RX7CTDSP1TRPV1AURKAMYC
SCHEMBL185912 0.86 AURKA (0.36) P2RX7CTDSP1TRPV1FAAHAURKA
SCHEMBL185942 0.85 FAAH (0.38) CTDSP1TRPV1FAAHAURKAMYC
SCHEMBL186557 0.84 FAAH (0.37) CTDSP1TRPV1FAAHAURKACNR2
SCHEMBL186353 0.84 NAMPT (0.37) CTDSP1TRPV1FAAHAURKAMYC
SCHEMBL185703 0.83 FAAH (0.37) CTDSP1TRPV1FAAHAURKACNR2
SCHEMBL185974 0.83 CTDSP1 (0.34) CTDSP1TRPV1FAAHAURKAMYC
SCHEMBL2812345 0.83 POLB (0.43) CTDSP1LMNAKDM4EMEN1KMT2A
SCHEMBL185234 0.82 GAA (0.35) CTDSP1TRPV1FAAHMYCMAX

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