SCHEMBL8633784

SCHEMBL8633784

O=C1CCC(OCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
IDO1 P14902 2/20 0.51
MGLL Q99685 2/20 0.51
DRD4 P21917 9/20 0.50
SIGMAR1 Q99720 9/20 0.50
DRD3 P35462 4/20 0.49
TMEM97 Q5BJF2 1/20 0.49
DRD1 P21728 1/20 0.48
TACR1 P25103 2/20 0.46
MAOB P27338 1/20 0.45
SLC6A4 P31645 1/20 0.45
FAAH O00519 1/20 0.44
MMP1 P03956 1/20 0.44
MMP12 P39900 1/20 0.44

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
SCHEMBL30754913 0.85 CARM1 (0.62) CARM1PRMT6IDO1MGLLDRD4
SCHEMBL2297042 0.82 CARM1 (0.58) CARM1PRMT6IDO1MGLLDRD4
SCHEMBL102306 0.82 CARM1 (0.58) CARM1PRMT6IDO1MGLLDRD4
SCHEMBL5521345 0.81 CARM1 (0.54) CARM1PRMT6IDO1DRD4SIGMAR1
SCHEMBL30754850 0.80 MGLL (0.56) CARM1PRMT6IDO1MGLLDRD4
SCHEMBL24780705 0.78 CARM1 (0.55) CARM1PRMT6IDO1MGLLDRD4
SCHEMBL30334859 0.78 SLC6A4 (0.59) CARM1PRMT6IDO1MGLLDRD4
SCHEMBL24168671 0.78 SLC6A4 (0.59) CARM1PRMT6IDO1MGLLDRD4
SCHEMBL21958732 0.77 CARM1 (0.54) CARM1PRMT6IDO1MGLLDRD4
SCHEMBL24168953 0.77 IDO1 (0.58) CARM1PRMT6IDO1MGLLDRD4

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
US-5712281-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1998-01-27 US disclosed
US-5536725-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1996-07-16 US disclosed