SCHEMBL9188796

SCHEMBL9188796

CC(=O)C1C(=O)N(CC2CC2)C(=O)N(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CHRM4 P08173 9/20 0.42
NOTUM Q6P988 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHRM2 P08172 3/20 0.41
CHRM1 P11229 2/20 0.41
KMT2A Q03164 1/20 0.39
CCKBR P32239 1/20 0.38
ACACB O00763 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL9181710 0.85 ALDH1A1 (0.42) CNR1CNR2NOTUMKMT2A
SCHEMBL9181360 0.83 CCKBR (0.38) CHRM4NOTUMFFAR4DRD2DRD3
SCHEMBL9186146 0.82 FAAH (0.39) DRD2DRD3KCNH2KMT2A
SCHEMBL9184400 0.81 MT-CO2 (0.42) KMT2A
SCHEMBL9188526 0.79 MCHR1 (0.40) CHRM4NOTUMDRD2DRD3KCNH2
SCHEMBL9181349 0.77 NOTUM (0.37) CHRM4NOTUMFFAR4DRD2DRD3
SCHEMBL9182339 0.76 TRPA1 (0.42) CNR1
SCHEMBL9184952 0.73 AR (0.42) CHRM4DRD2DRD3KCNH2CHRM2
SCHEMBL9186350 0.72 FFAR4 (0.36) CHRM4FFAR4DRD2DRD3CHRM2
SCHEMBL7607513 0.66 MCHR1 (0.53) NOTUMFFAR4DRD2DRD3KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455300-B1 Barbituric acid derivatives having insecticidal activity DUPHAR INT RES (NL) 1995-06-28 EP disclosed
US-5164396-A Control of aphids DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-11-17 US disclosed
EP-0455300-A1 Barbituric acid derivatives having insecticidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1991-11-06 EP disclosed