SCHEMBL185974

SCHEMBL185974

O=C(N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1)Oc1cncs1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.34
FAAH O00519 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33
BDKRB1 P46663 1/20 0.33
SCD O00767 7/20 0.33
NAMPT P43490 3/20 0.33
AURKA O14965 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
SCHEMBL185889 0.90 OPRL1 (0.38) FAAHBDKRB1
SCHEMBL186210 0.89 POLB (0.34) NAMPT
SCHEMBL2805433 0.88 AR (0.38) CTDSP1MYCMAXBDKRB1SCD
SCHEMBL185942 0.87 FAAH (0.38) CTDSP1FAAHTRPV1MYCMAX
SCHEMBL186353 0.87 NAMPT (0.37) CTDSP1FAAHTRPV1MYCMAX
SCHEMBL185912 0.85 AURKA (0.36) CTDSP1FAAHTRPV1BDKRB1SCD
SCHEMBL186557 0.85 FAAH (0.37) CTDSP1FAAHTRPV1BDKRB1SCD
SCHEMBL185703 0.84 FAAH (0.37) CTDSP1FAAHTRPV1BDKRB1SCD
SCHEMBL185068 0.83 P2RX7 (0.34) CTDSP1FAAHTRPV1MYCMAX
SCHEMBL186530 0.83 TRPV1 (0.34) CTDSP1FAAHTRPV1BDKRB1SCD

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