SCHEMBL17640658

SCHEMBL17640658

CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)c(C3CC3)nc2n1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 4/20 0.36
▸ POLB P06746 1/20 0.35
▸ LRRK2 Q5S007 6/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ CRHR1 P34998 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ RORC P51449 2/20 0.30
▸ SSTR4 P31391 1/20 0.30
▸ DDR1 Q08345 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
SCHEMBL17633968 0.91 LRRK2 (0.35) PDE2ALRRK2EGLN1RORCSSTR4
SCHEMBL17640473 0.90 LRRK2 (0.34) PDE2ALRRK2EGLN1RORC
SCHEMBL17640665 0.90 PDE2A (0.35) PDE2ALRRK2RORC
SCHEMBL17640666 0.87 CYP1A2 (0.33) LRRK2
SCHEMBL17609374 0.85 POLB (0.40) PDE2APOLBLRRK2DRD2DRD4
SCHEMBL15933422 0.85 POLB (0.37) POLBLRRK2CRHR1EGLN1DDR1
SCHEMBL30711169 0.84 POLB (0.43) PDE2APOLBLRRK2DRD2DRD4
SCHEMBL17844030 0.84 POLB (0.43) PDE2APOLBLRRK2DRD2DRD4
SCHEMBL17640652 0.83 PDE2A (0.33) PDE2ALRRK2
SCHEMBL15929740 0.83 POLB (0.36) PDE2APOLBLRRK2CRHR1EGLN1

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-2016046071-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-31 — — WO disclosed
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