SCHEMBL185613

SCHEMBL185613

CN(C(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Nc2ccc(F)cc2C(F)(F)F)cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.33
FAAH O00519 4/20 0.33
MAPK10 P53779 2/20 0.32
LIPE Q05469 1/20 0.32
CNR2 P34972 1/20 0.31
TRPV1 Q8NER1 3/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
PDE10A Q9Y233 1/20 0.31
GRM5 P41594 1/20 0.30

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 0.93 MAPK10 (0.33) SMOFAAHMAPK10LIPETRPV1
SCHEMBL186205 0.93 LIPE (0.36) FAAHLIPECNR2TRPV1PDE10A
SCHEMBL185331 0.93 DHODH (0.35) FAAHLIPECNR2TRPV1GPBAR1
SCHEMBL185136 0.92 OPRL1 (0.32) SMOFAAHCNR2TRPV1
SCHEMBL186651 0.92 CNR2 (0.39) MAPK10LIPECNR2TRPV1GRM5
SCHEMBL185280 0.92 PIK3CA (0.36) SMOFAAHMAPK10LIPECNR2
SCHEMBL185910 0.92 FAAH (0.32) FAAHLIPECNR2TRPV1
SCHEMBL185223 0.90 FAAH (0.35) FAAHMAPK10LIPETRPV1
SCHEMBL2805105 0.90 BDKRB1 (0.34) SMOMAPK10PDE10A
SCHEMBL185040 0.86 MAPK3 (0.34) FAAHMAPK10TRPV1

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