SCHEMBL185692

SCHEMBL185692

O=C(Cc1ccccn1)NC1(OC(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.35
CRACR2A Q9BSW2 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HDAC1 Q13547 2/20 0.33
AURKA O14965 1/20 0.33
EPHX2 P34913 1/20 0.33
PTK2 Q05397 1/20 0.33
FFAR2 O15552 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL186038 0.88 NAMPT (0.40) LMNAHDAC1PTK2
SCHEMBL2806663 0.86 LMNA (0.40) LMNAMAPK1CRACR2AP2RX7HDAC1
SCHEMBL13128459 0.86 LMNA (0.40) LMNAMAPK1CRACR2AP2RX7HDAC1
SCHEMBL185629 0.82 POLB (0.36) LMNAMAPK1P2RX7ALDH1A1POLB
SCHEMBL185869 0.81 ALDH1A1 (0.35) LMNAALDH1A1POLBPTK2RAB9A
SCHEMBL185812 0.80 POLB (0.34) POLBHTR1ADRD2EPHX2PTK2
SCHEMBL186396 0.80 HPGD (0.40) LMNAP2RX7POLBSMN1; SMN2
SCHEMBL186112 0.80 HDAC1 (0.39) ALDH1A1POLBHDAC1PTK2RAB9A
SCHEMBL185726 0.80 GAA (0.42) LMNAALDH1A1POLBHDAC1EPHX2
SCHEMBL185723 0.79 KCNH2 (0.41) ALDH1A1POLBSMN1; SMN2

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