SCHEMBL185464

SCHEMBL185464

CN(C)CC(=O)NC1CC1.O=C(O)NCc1ccc(Nc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
PTK2 Q05397 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PKM P14618 1/20 0.39
MAOA P21397 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
MAPT P10636 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
SCHEMBL186097 0.91 SIGMAR1 (0.42) SIGMAR1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL185364 0.89 SIGMAR1 (0.45) SIGMAR1ALDH1A1POLBKMT2AGAA
SCHEMBL186742 0.89 SIGMAR1 (0.41) SIGMAR1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL185704 0.88 FASN (0.43) SIGMAR1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL186322 0.87 SIGMAR1 (0.45) SIGMAR1ALDH1A1POLBL3MBTL1KMT2A
SCHEMBL185935 0.87 SIGMAR1 (0.43) SIGMAR1ALDH1A1POLBL3MBTL1KMT2A
SCHEMBL185809 0.87 SIGMAR1 (0.45) SIGMAR1POLBKMT2AGAAMEN1
SCHEMBL185584 0.86 SIGMAR1 (0.43) SIGMAR1ALDH1A1POLBKMT2AGAA
SCHEMBL185673 0.84 POLB (0.45) SIGMAR1ALDH1A1POLBKMT2AGAA
SCHEMBL2809644 0.79 ALDH1A1 (0.43) ALDH1A1POLBTDP1L3MBTL1KMT2A

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