SCHEMBL8948819

SCHEMBL8948819

CC1(C)CCc2ccc(F)c(N)c2O1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
GRM2 Q14416 2/20 0.33
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
KDM1A O60341 1/20 0.32
IDO1 P14902 1/20 0.30
AKT1 P31749 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
SCHEMBL15075073 0.83 TRPV1 (0.35) GRM2PKMPKLRLMNAHPGD
SCHEMBL8948775 0.83 ALDH1A1 (0.39) HTR1DHTR1BPKMLMNA
SCHEMBL28722005 0.80 PKM (0.33) GRM2PKMPKLRLMNAHPGD
SCHEMBL29496048 0.80 PKM (0.33) GRM2PKMPKLRLMNAHPGD
SCHEMBL2860257 0.77 IDO1 (0.36) PKMLMNAHPGDMALT1IDO1
SCHEMBL29153760 0.76 MALT1 (0.33) PKMPKLRLMNAHPGDMALT1
SCHEMBL15075059 0.76 HTR2C (0.47) PKMPKLRLMNAHPGDMALT1
SCHEMBL15075056 0.73 TRPV1 (0.37) PKMPKLRLMNAHPGDMALT1
SCHEMBL22969617 0.72 REN (0.34) GRM2
SCHEMBL29495857 0.72 REN (0.34) GRM2

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-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed