SCHEMBL20205834

SCHEMBL20205834

CCC(=NN=C(C)c1cc2ccccc2s1)OCc1c(C)cccc1N(N)C(=O)N(C)N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.35
NPY2R P49146 3/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
SLC9A1 P19634 2/20 0.32
RAB9A P51151 1/20 0.32
DYRK1A Q13627 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRL1 P41146 1/20 0.32
BCL2L1 Q07817 1/20 0.31
MCHR1 Q99705 1/20 0.31
PIN1 Q13526 1/20 0.31
TMIGD3 P0DMS9 1/20 0.30
ADORA1 P30542 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
SCHEMBL23678258 0.85 SMN1; SMN2 (0.37) RAB9A
SCHEMBL20205530 0.82 SMN1; SMN2 (0.42) RAB9A
SCHEMBL20205532 0.81 SLC9A1 (0.35) SLC9A1
SCHEMBL20205513 0.80
SCHEMBL20205487 0.80 MEN1 (0.36) RAB9A
SCHEMBL20205663 0.80
SCHEMBL20205879 0.79 KMT2A (0.35) RAB9A
SCHEMBL23678294 0.79
SCHEMBL23678116 0.78
SCHEMBL23678400 0.78 PPARG (0.35) RAB9A

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-3544973-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS SUMITOMO CHEMICAL CO (JP) 2021-07-28 EP disclosed
WO-2018097318-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-31 WO disclosed