SCHEMBL8990348

SCHEMBL8990348

FC(F)(F)c1cccc(COC2CCC3(CC2)OCCO3)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
IDO1 P14902 2/20 0.47
DRD4 P21917 9/20 0.46
SIGMAR1 Q99720 9/20 0.46
DRD3 P35462 4/20 0.46
TMEM97 Q5BJF2 1/20 0.46
DRD1 P21728 1/20 0.45
MGLL Q99685 1/20 0.45
TACR1 P25103 3/20 0.43
MAOB P27338 2/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL5524763 0.83 CARM1 (0.50) CARM1PRMT6IDO1DRD4SIGMAR1
SCHEMBL30754913 0.81 CARM1 (0.62) CARM1PRMT6IDO1DRD4SIGMAR1
SCHEMBL720768 0.80 OPRM1 (0.56) CARM1PRMT6SIGMAR1TMEM97
SCHEMBL8990301 0.78 SLC6A2 (0.54) MGLL
SCHEMBL2297042 0.78 CARM1 (0.58) CARM1PRMT6IDO1DRD4SIGMAR1
SCHEMBL102306 0.78 CARM1 (0.58) CARM1PRMT6IDO1DRD4SIGMAR1
SCHEMBL8633784 0.76 CARM1 (0.57) CARM1PRMT6IDO1DRD4SIGMAR1
SCHEMBL24780705 0.74 CARM1 (0.55) CARM1PRMT6IDO1DRD4SIGMAR1
SCHEMBL10686275 0.74 OPRM1 (0.54) CARM1PRMT6SIGMAR1TMEM97
SCHEMBL24168671 0.74 SLC6A4 (0.59) CARM1PRMT6IDO1DRD4SIGMAR1

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