SCHEMBL185326

SCHEMBL185326

COc1cccc(C(=O)N[C@]2(OC(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CCR2 P41597 1/20 0.39
EPHX2 P34913 3/20 0.39
BTK Q06187 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MMP13 P45452 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK14 Q16539 1/20 0.37
HPGD P15428 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL185723 0.94 KCNH2 (0.41) KMT2AGAAMAPTALDH1A1KDM4E
SCHEMBL185726 0.92 GAA (0.42) KMT2AGAALMNAMAPTRAB9A
SCHEMBL186112 0.90 HDAC1 (0.39) MAPTRAB9AALDH1A1NPSR1MMP13
SCHEMBL2813652 0.87 KMT2A (0.42) KMT2AGAALMNAMAPTRAB9A
SCHEMBL185869 0.87 ALDH1A1 (0.35) KMT2ALMNAMAPTRAB9AALDH1A1
SCHEMBL186396 0.85 HPGD (0.40) LMNAMAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL185629 0.81 POLB (0.36) KMT2AGAALMNARAB9AEPHX2
SCHEMBL2808159 0.81 KCNH2 (0.43) KMT2AGAAMAPTALDH1A1KDM4E
SCHEMBL186209 0.80 POLB (0.34) KMT2AGAALMNAMAPTEPHX2
SCHEMBL205144 0.79 CTDSP1 (0.32) GAAMAPTALDH1A1NPSR1SMN1; 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