SCHEMBL184989

SCHEMBL184989

O=C(NC1(C(=O)NCc2ccc(Nc3ccccc3)cc2)CC1)Oc1cncnc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.50
FAAH O00519 11/20 0.46
TRPV1 Q8NER1 9/20 0.42
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL185605 0.91 FAAH (0.46) BDKRB1FAAHTRPV1CYP2C9CYP3A4
SCHEMBL14856425 0.90 BDKRB1 (0.48) BDKRB1FAAHTRPV1CYP2C9CYP3A4
SCHEMBL185374 0.88 MEN1 (0.47) BDKRB1FAAHTRPV1NAMPT
SCHEMBL185958 0.86 BDKRB1 (0.44) BDKRB1FAAHTRPV1NAMPT
SCHEMBL2805903 0.86 BDKRB1 (0.63) BDKRB1CYP2C9CYP3A4CYP2C19USP2
SCHEMBL187120 0.85 BDKRB1 (0.50) BDKRB1FAAHTRPV1
SCHEMBL185745 0.85 BDKRB1 (0.43) BDKRB1FAAHTRPV1CYP2C9CYP3A4
SCHEMBL185457 0.83 BDKRB1 (0.49) BDKRB1FAAHTRPV1
SCHEMBL196872 0.81 BDKRB1 (0.40) BDKRB1FAAHTRPV1CYP2C9CYP3A4
SCHEMBL14857250 0.81 BDKRB1 (0.40) BDKRB1FAAHTRPV1CYP2C9CYP3A4

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