SCHEMBL3129989

SCHEMBL3129989

Fc1ccc(COC2CCN(N3CCC(OCc4ccc(F)c(F)c4F)CC3)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
HTR1A P08908 1/20 0.41
CARM1 Q86X55 3/20 0.40
PRMT6 Q96LA8 3/20 0.40
NAAA Q02083 2/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
TACR1 P25103 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL3129985 0.84 HTR6 (0.46) GRM2IDO1AGXTHTR1ANAAA
SCHEMBL6927532 0.81 CARM1 (0.49) GRM2IDO1AGXTHTR1ACARM1
SCHEMBL10819401 0.78 CARM1 (0.50) GRM2IDO1AGXTHTR1ACARM1
SCHEMBL13003371 0.75 GRM2 (0.42) GRM2IDO1AGXTHTR1ACARM1
SCHEMBL3122107 0.75 IDO1 (0.49) GRM2IDO1AGXTHTR1ACARM1
SCHEMBL6926360 0.75 SLC6A4 (0.51) GRM2IDO1AGXTHTR1ANAAA
SCHEMBL3117849 0.73 HTR1A (0.35) HTR1ACARM1PRMT6NAAAKDM4E
SCHEMBL27246487 0.71 IDO1 (0.51) IDO1AGXTHTR1ANAAAKDM4E
SCHEMBL13060199 0.71 DPP4 (0.52) SMN1; SMN2MGLL
SCHEMBL31381199 0.70 ALDH1A1 (0.45) GRM2IDO1AGXTHTR1ANAAA

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed