SCHEMBL1705723

SCHEMBL1705723

O=C(O)NC1(F)CCCC1F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 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
SCHEMBL28480830 0.64 CYP2C19 (0.30)
SCHEMBL3624905 0.64 GRM2 (0.32)
SCHEMBL21380220 0.63 DGAT1 (0.38)
SCHEMBL11939899 0.63 ARG1 (0.45) CYP1A2
SCHEMBL4612910 0.63 GRM2 (0.32)
SCHEMBL30927134 0.63 ARG1 (0.45) CYP1A2
SCHEMBL1015563 0.63
SCHEMBL3725259 0.63 EPHX1 (0.30)
SCHEMBL12949893 0.63 ARG1 (0.45) CYP1A2
Bicarbonate SCHEMBL11288924 0.61 MAPK1 (0.31)

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-2440558-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010144486-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed