SCHEMBL8990350

SCHEMBL8990350

FC(F)(F)c1cccc(C(OC(c2cccc(C(F)(F)F)c2)C2CCC3(CC2)OCCO3)C2CCC3(CC2)OCCO3)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.38
OPRD1 P41143 4/20 0.38
OPRK1 P41145 4/20 0.38
OPRL1 P41146 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
TACR1 P25103 1/20 0.36
KCNH2 Q12809 1/20 0.36
EPHX1 P07099 1/20 0.36
PNMT P11086 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL8990296 0.84 PNMT (0.46) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL8990470 0.80 IDO1 (0.46) SLC6A2SLC6A4IDO1
SCHEMBL22816111 0.73 HTR2C (0.57) TACR1CHRM2
SCHEMBL8990301 0.73 SLC6A2 (0.54) SLC6A2SLC6A4
SCHEMBL11834096 0.73 IDO1 (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL4387326 0.73 IDO1 (0.57) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL1498492 0.70 LRRK2 (0.36) TACR1PNMT
SCHEMBL8990348 0.70 CARM1 (0.53) IDO1TACR1
SCHEMBL1498766 0.68 TSHR (0.45)
SCHEMBL15322118 0.68 OPRL1 (0.52) OPRM1OPRD1OPRK1OPRL1

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