SCHEMBL20195507

SCHEMBL20195507

Cc1ncccc1OCc1c(C2CC2)cccc1N(N)C(=O)N(C)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 4/20 0.37
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
TPH1 P17752 1/20 0.35
HTR1A P08908 2/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
THPO P40225 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
CHRNB1 P11230 1/20 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
SCHEMBL20686640 0.81 NOTUM (0.35)
SCHEMBL20686779 0.80 PTGDR2 (0.35) TPH1LMNA
SCHEMBL18871330 0.79 MRGPRX4 (0.39) LMNA
SCHEMBL20195558 0.79 SSTR4 (0.37) SSTR4
SCHEMBL18871069 0.79 HTR6 (0.33) THRB
SCHEMBL18871547 0.78 NR1H4 (0.34) LMNA
SCHEMBL18871635 0.78 SMN1; SMN2 (0.36) CYP1A2THRBCYP2C19LMNA
SCHEMBL20195530 0.78 PDK2 (0.33)
SCHEMBL20195421 0.78 GABRA5 (0.36)
SCHEMBL20195631 0.77 SSTR4 (0.41) SSTR4CHRNB2CHRNA4TPH1HTR1A

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