SCHEMBL185910

SCHEMBL185910

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.32
TRPV1 Q8NER1 3/20 0.32
LIPE Q05469 1/20 0.31
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
CNR2 P34972 2/20 0.31
FPR2 P25090 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
SCHEMBL185613 0.92 SMO (0.33) FAAHTRPV1LIPECNR2
SCHEMBL186205 0.91 LIPE (0.36) FAAHTRPV1LIPEEGFRKDR
SCHEMBL185331 0.91 DHODH (0.35) FAAHTRPV1LIPEKDRCNR2
SCHEMBL186651 0.91 CNR2 (0.39) TRPV1LIPECNR2
SCHEMBL185280 0.91 PIK3CA (0.36) FAAHTRPV1LIPEEGFRCNR2
SCHEMBL2809360 0.90 BDKRB1 (0.33) EGFRKDRCNR2FPR2
SCHEMBL185223 0.89 FAAH (0.35) FAAHTRPV1LIPE
SCHEMBL185885 0.89 FAAH (0.35) FAAHTRPV1EGFRFPR2
SCHEMBL14856612 0.87 MAPK10 (0.33) FAAHTRPV1LIPEKDR
SCHEMBL185136 0.85 OPRL1 (0.32) FAAHTRPV1CNR2

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