SCHEMBL185673

SCHEMBL185673

O=C(NC1CC1)C1CC1.O=C(O)NCc1ccc(Nc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
EPHX2 P34913 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
PKM P14618 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GAA P10253 2/20 0.39
FAAH O00519 1/20 0.39
GFER P55789 1/20 0.38

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
SCHEMBL185364 0.89 SIGMAR1 (0.45) POLBEPHX2MEN1KMT2ASIGMAR1
SCHEMBL186322 0.87 SIGMAR1 (0.45) POLBEPHX2MEN1KMT2ANPSR1
SCHEMBL185809 0.86 SIGMAR1 (0.45) POLBEPHX2MEN1KMT2ASIGMAR1
SCHEMBL185464 0.84 SIGMAR1 (0.43) POLBMEN1KMT2AMAPTSIGMAR1
SCHEMBL185935 0.84 SIGMAR1 (0.43) POLBEPHX2MEN1KMT2AMAPK1
SCHEMBL185584 0.84 SIGMAR1 (0.43) POLBEPHX2MEN1KMT2ASIGMAR1
SCHEMBL186097 0.83 SIGMAR1 (0.42) POLBEPHX2MEN1KMT2ASIGMAR1
SCHEMBL186742 0.81 SIGMAR1 (0.41) POLBEPHX2MEN1KMT2ASIGMAR1
SCHEMBL185704 0.81 FASN (0.43) POLBEPHX2MEN1KMT2ASIGMAR1
SCHEMBL2806172 0.80 POLB (0.43) POLBEPHX2MEN1KMT2AMAPT

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