SCHEMBL185600

SCHEMBL185600

CSc1ccc(Nc2ccc(CNC(=O)C3(NC(=O)Oc4cncnc4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
FAAH O00519 6/20 0.35
TRPV1 Q8NER1 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BTK Q06187 1/20 0.33
CNR2 P34972 2/20 0.32
NAMPT P43490 2/20 0.31
CCR2 P41597 2/20 0.30
KCNH2 Q12809 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL2804929 0.90 BDKRB1 (0.47) BDKRB1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL2782059 0.87 BDKRB1 (0.39) BDKRB1FAAHTRPV1CYP3A4CYP2C9
SCHEMBL185958 0.86 BDKRB1 (0.44) BDKRB1FAAHTRPV1MEN1KMT2A
SCHEMBL185881 0.81 OPRL1 (0.37) BDKRB1FAAHTRPV1BTKCNR2
SCHEMBL186053 0.81 CNR2 (0.34) BDKRB1FAAHTRPV1CYP2C19RAB9A
SCHEMBL186485 0.79 BDKRB1 (0.32) BDKRB1FAAHTRPV1NPC1
SCHEMBL2805808 0.78 BDKRB1 (0.48) BDKRB1MAPTNAMPTHPGD
SCHEMBL185942 0.78 FAAH (0.38) BDKRB1FAAHTRPV1NAMPT
SCHEMBL13128516 0.78 BDKRB1 (0.48) BDKRB1NPC1RAB9ABTKCNR2
SCHEMBL185605 0.78 FAAH (0.46) BDKRB1FAAHTRPV1CYP3A4CYP2C9

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