SCHEMBL3719152

SCHEMBL3719152

COc1ccc(Oc2cnc(C#N)nc2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.48
PGR P06401 2/20 0.43
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL3730195 0.87 AR (0.48) ARPGRCTSSSLC22A12
SCHEMBL3725903 0.82 SLC22A12 (0.45) ARPGRCTSSCTSKSLC22A12
SCHEMBL756605 0.81 AR (0.52) ARPGR
SCHEMBL3725849 0.81 AR (0.44) ARPGRCTSS
SCHEMBL4050631 0.80 AR (0.47) ARPGR
SCHEMBL3722003 0.80 SLC22A12 (0.46) ARSLC22A12
SCHEMBL3721302 0.79 AR (0.44) ARCTSKSLC22A12
SCHEMBL3722872 0.79 L3MBTL1 (0.41) AR
SCHEMBL3722058 0.78 L3MBTL1 (0.40) AR
SCHEMBL3719026 0.78 MAPT (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed