SCHEMBL186353

SCHEMBL186353

O=C(N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1)Oc1cnco1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
TRPV1 Q8NER1 2/20 0.34
FAAH O00519 1/20 0.34
BDKRB1 P46663 1/20 0.34
MYC P01106 1/20 0.32
MAX P61244 1/20 0.32
AURKA O14965 1/20 0.32
PTK2 Q05397 1/20 0.32
SCD O00767 2/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL185942 0.88 FAAH (0.38) NAMPTCTDSP1TRPV1FAAHBDKRB1
SCHEMBL2807542 0.87 NAMPT (0.39) NAMPTCTDSP1BDKRB1MYCMAX
SCHEMBL185974 0.87 CTDSP1 (0.34) NAMPTCTDSP1TRPV1FAAHBDKRB1
SCHEMBL185912 0.86 AURKA (0.36) NAMPTCTDSP1TRPV1FAAHBDKRB1
SCHEMBL186557 0.86 FAAH (0.37) CTDSP1TRPV1FAAHBDKRB1AURKA
SCHEMBL185234 0.86 GAA (0.35) CTDSP1TRPV1FAAHBDKRB1MYC
SCHEMBL185703 0.85 FAAH (0.37) CTDSP1TRPV1FAAHBDKRB1AURKA
SCHEMBL185068 0.84 P2RX7 (0.34) CTDSP1TRPV1FAAHMYCMAX
SCHEMBL186530 0.84 TRPV1 (0.34) NAMPTCTDSP1TRPV1FAAHBDKRB1
SCHEMBL185009 0.84 BTK (0.37) CTDSP1TRPV1FAAHBDKRB1AURKA

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