SCHEMBL19208399

SCHEMBL19208399

CC(C)(C)[Si](C)(C)OCCCc1cccc(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.36
KCNH2 Q12809 1/20 0.34
P2RX7 Q99572 1/20 0.33
AKR1B1 P15121 1/20 0.32
IDO1 P14902 2/20 0.31
MPO P05164 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
DGAT1 O75907 1/20 0.31
SLC2A1 P11166 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL8536947 0.85 TAAR1 (0.41) DUTKCNH2IDO1SLC2A1
SCHEMBL1244821 0.80 DUT (0.36) DUT
SCHEMBL1244866 0.80 TAAR1 (0.42) DUTIDO1MPO
SCHEMBL30922515 0.75 DUT (0.36) DUTKCNH2DGAT1SLC2A1
SCHEMBL23908432 0.74 DUT (0.37) DUT
SCHEMBL30667522 0.74 TAAR1 (0.41) DUTIDO1
SCHEMBL12634902 0.74 TAAR1 (0.41) DUTIDO1
SCHEMBL15054017 0.74 MPO (0.41) DUTAKR1B1IDO1MPO
SCHEMBL9566221 0.74 TAAR1 (0.41) DUTIDO1
SCHEMBL8069572 0.74 DUT (0.39) DUTIDO1SLC2A1

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-3411411-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF Biocryst Pharmaceuticals, Inc. (US) 2018-12-12 EP disclosed
WO-2017136395-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF BIOCRYST PHARMACEUTICALS, INC. (US) 2017-08-10 WO disclosed