SCHEMBL20195421

SCHEMBL20195421

Cc1nc(OCc2c(C3CC3)cccc2N(N)C(=O)N(C)N)ccc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 9/20 0.36
FFAR1 O14842 2/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
NR1H4 Q96RI1 4/20 0.33
DGAT1 O75907 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
CD274 Q9NZQ7 2/20 0.31
CNR2 P34972 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
SCHEMBL20195412 0.80 NR1H4 (0.32) NR1H4CNR2
SCHEMBL20195507 0.78 SSTR4 (0.37)
SCHEMBL20195530 0.77 PDK2 (0.33) PDK2PDK4
SCHEMBL20195558 0.77 SSTR4 (0.37) GABRA5PDK2PDK4GABRA1GABRG2
SCHEMBL20686640 0.76 NOTUM (0.35)
SCHEMBL20845009 0.74 NOTUM (0.34) PDK2PDK4
SCHEMBL17796910 0.73 PDK2 (0.35) GABRA5FFAR1PDK2PDK4NR1H4
SCHEMBL22564429 0.73 NTSR1 (0.35)
SCHEMBL20195557 0.73
SCHEMBL20686779 0.72 PTGDR2 (0.35)

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
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed