SCHEMBL10071822

SCHEMBL10071822

COc1ccc(Nc2ccc(CNC(=O)[C@]3(NC(=O)c4cn[nH]c(=O)c4)CCOC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.34
NAMPT P43490 3/20 0.34
P2RX7 Q99572 1/20 0.33
PIK3CA P42336 1/20 0.33
BDKRB1 P46663 1/20 0.32
FLT3 P36888 2/20 0.32
PTK2 Q05397 2/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
BTK Q06187 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL10070760 0.92 BDKRB1 (0.38) EPHX2P2RX7PIK3CABDKRB1FLT3
SCHEMBL10065731 0.91 OPRL1 (0.35) NAMPT
SCHEMBL16404430 0.90 NAMPT (0.34) NAMPTFLT3CDK2CCNA1CYP4F2
SCHEMBL10065730 0.90 CNR2 (0.35) NAMPTP2RX7
SCHEMBL10071821 0.90 EPHX2 (0.34) EPHX2P2RX7PIK3CABDKRB1FLT3
SCHEMBL10071820 0.89 EPHX2 (0.33) EPHX2P2RX7PIK3CABDKRB1FLT3
SCHEMBL10070731 0.89 EPHX2 (0.38) EPHX2P2RX7
SCHEMBL10070609 0.88 BDKRB1 (0.37) EPHX2P2RX7PIK3CABDKRB1PTK2
SCHEMBL10070761 0.88 EPHX2 (0.35) EPHX2P2RX7PIK3CABDKRB1PTK2
SCHEMBL10070762 0.88 EPHX2 (0.37) EPHX2P2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
WO-2012022795-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed