SCHEMBL185223

SCHEMBL185223

CN(C(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Nc2ccccc2C(F)(F)F)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.35
TRPV1 Q8NER1 3/20 0.35
LIPE Q05469 1/20 0.34
RAB9A P51151 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
MAPK14 Q16539 1/20 0.32
AURKA O14965 1/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
FLT4 P35916 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
DGAT1 O75907 1/20 0.32
LMNA P02545 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
SCHEMBL14856612 0.90 MAPK10 (0.33) FAAHTRPV1LIPEMAPK10
SCHEMBL185613 0.90 SMO (0.33) FAAHTRPV1LIPEMAPK10
SCHEMBL2804889 0.90 MAPK9 (0.36) RAB9AMAPK14AURKAMAPK9MAPK10
SCHEMBL186205 0.89 LIPE (0.36) FAAHTRPV1LIPEMAPK14
SCHEMBL185331 0.89 DHODH (0.35) FAAHTRPV1LIPE
SCHEMBL185280 0.89 PIK3CA (0.36) FAAHTRPV1LIPEMAPK14MAPK10
SCHEMBL186651 0.89 CNR2 (0.39) TRPV1LIPERAB9AMAPK10LMNA
SCHEMBL185910 0.89 FAAH (0.32) FAAHTRPV1LIPE
SCHEMBL186120 0.88 JAK1 (0.34) FAAHTRPV1LIPEMAPK10
SCHEMBL186646 0.88 L3MBTL1 (0.35) FAAHTRPV1LIPE

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