SCHEMBL10071161

SCHEMBL10071161

COc1ccc(Nc2ccc(CNC(=O)[C@]3(NC(=O)c4cncc(N)c4)CCOC3)c(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.38
BDKRB1 P46663 2/20 0.36
RAF1 P04049 2/20 0.36
P2RX7 Q99572 2/20 0.35
PPARG P37231 3/20 0.34

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
SCHEMBL10071170 0.93 EPHX2 (0.38) EPHX2BDKRB1P2RX7PPARG
SCHEMBL10070595 0.92 EPHX2 (0.39) EPHX2BDKRB1P2RX7PPARG
SCHEMBL16404439 0.91 EPHX2 (0.36) EPHX2BDKRB1P2RX7
SCHEMBL11908533 0.91 BDKRB1 (0.43) EPHX2BDKRB1RAF1P2RX7PPARG
SCHEMBL10070739 0.91 BDKRB1 (0.43) EPHX2BDKRB1RAF1P2RX7PPARG
SCHEMBL11906323 0.90 BDKRB1 (0.36) EPHX2BDKRB1RAF1P2RX7
SCHEMBL10071163 0.90 BDKRB1 (0.36) EPHX2BDKRB1RAF1P2RX7
SCHEMBL10070613 0.89 EPHX2 (0.39) EPHX2P2RX7PPARG
SCHEMBL10071167 0.88 BDKRB1 (0.37) EPHX2BDKRB1RAF1P2RX7
SCHEMBL11907169 0.88 BDKRB1 (0.37) EPHX2BDKRB1RAF1P2RX7

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
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
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