SCHEMBL185040

SCHEMBL185040

CN(C(=O)[C@]1(NC(=O)Oc2cncnc2)CCOC1)c1ccc(Nc2cc(F)ccc2C(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
FAAH O00519 3/20 0.32
MAPK10 P53779 1/20 0.31
RAF1 P04049 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
KDR P35968 1/20 0.30
TEK Q02763 1/20 0.30
OPRL1 P41146 3/20 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
SCHEMBL185136 0.94 OPRL1 (0.32) MAPK3MAPK1FAAHTRPV1OPRL1
SCHEMBL14856612 0.92 MAPK10 (0.33) MAPK3MAPK1FAAHMAPK10TRPV1
SCHEMBL2807707 0.91 MAPK3 (0.36) MAPK3MAPK1MAPK10RAF1OPRL1
SCHEMBL185363 0.87 FAAH (0.31) FAAHTRPV1KDRTEK
SCHEMBL185613 0.86 SMO (0.33) FAAHMAPK10TRPV1
SCHEMBL2808302 0.85 BACE1 (0.33) MAPK3MAPK1MAPK10RAF1OPRL1
SCHEMBL185223 0.83 FAAH (0.35) FAAHMAPK10TRPV1
SCHEMBL2805743 0.83 BDKRB1 (0.34) MAPK3MAPK1MAPK10
SCHEMBL186205 0.81 LIPE (0.36) FAAHTRPV1KDR
SCHEMBL185331 0.81 DHODH (0.35) MAPK3FAAHTRPV1KDR

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