SCHEMBL10071820

SCHEMBL10071820

COc1ccc(Nc2cnc(CNC(=O)[C@]3(NC(=O)c4cn[nH]c(=O)c4)CCOC3)c(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.33
P2RX7 Q99572 2/20 0.32
PIK3CA P42336 1/20 0.32
BDKRB1 P46663 1/20 0.31
CNR2 P34972 2/20 0.31
FLT3 P36888 2/20 0.31
TNKS O95271 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31
DHODH Q02127 2/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
MAPK3 P27361 1/20 0.30

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
SCHEMBL10071821 0.93 EPHX2 (0.34) EPHX2P2RX7PIK3CABDKRB1FLT3
SCHEMBL10066086 0.91 CNR2 (0.36) P2RX7CNR2
SCHEMBL15460097 0.91 ALOX15 (0.36) P2RX7CNR2MAPK3
SCHEMBL10070762 0.90 EPHX2 (0.37) EPHX2P2RX7
SCHEMBL16404426 0.90 FLT3 (0.31) P2RX7CNR2FLT3TNKSTNKS2
SCHEMBL10071822 0.89 EPHX2 (0.34) EPHX2P2RX7PIK3CABDKRB1FLT3
SCHEMBL10070596 0.89 BDKRB1 (0.36) EPHX2P2RX7PIK3CABDKRB1CNR2
SCHEMBL10070759 0.89 EPHX2 (0.34) EPHX2P2RX7PIK3CABDKRB1CNR2
SCHEMBL10070760 0.89 BDKRB1 (0.38) EPHX2P2RX7PIK3CABDKRB1CNR2
SCHEMBL11906323 0.88 BDKRB1 (0.36) EPHX2P2RX7PIK3CABDKRB1CNR2

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