SCHEMBL21610548

SCHEMBL21610548

CC[S+]([O-])c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)s2)n1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ GRIN1 Q05586 3/20 0.34
▸ GRIN2B Q13224 3/20 0.34
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ GRM2 Q14416 1/20 0.32

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
SCHEMBL21610556 0.85 POLB (0.37) POLBGRIN1GRIN2B
SCHEMBL21610552 0.84 POLB (0.38) POLB
SCHEMBL21610553 0.83 POLB (0.36) POLBDRD2DRD4DRD3GRM2
SCHEMBL23353557 0.83 POLB (0.39) POLBGRIN1GRIN2BDRD2DRD4
SCHEMBL21610555 0.79 POLB (0.35) POLB
SCHEMBL21610532 0.79 POLB (0.45) POLB
SCHEMBL24701887 0.79 POLB (0.37) POLB
SCHEMBL21610489 0.78 DGAT1 (0.34) POLB
SCHEMBL21610523 0.77 POLB (0.41) POLB
SCHEMBL24701905 0.77 MEN1 (0.39) POLB

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
WO-2020002082-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 — — WO disclosed
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