SCHEMBL1668306

SCHEMBL1668306

C[S+]([O-])N1CCC(c2cc(F)c(OC3CN(Cc4ccc5ccccc5c4)C3)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ACHE P22303 1/20 0.42
MCHR1 Q99705 5/20 0.39
DRD4 P21917 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CCR3 P51677 1/20 0.37
CHKA P35790 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL12198367 0.85 ACHE (0.43) KMT2AMEN1ACHEMCHR1SLC6A4
SCHEMBL1670849 0.84 CCR3 (0.46) KMT2AMEN1ACHEMCHR1CCR3
SCHEMBL1670840 0.80 TEAD1 (0.38) ACHEMCHR1DRD4
SCHEMBL1668930 0.76 DRD2 (0.31) DRD4DRD2
SCHEMBL1669279 0.75 GPR119 (0.38)
SCHEMBL1668670 0.71 HTR2C (0.35) ACHE
SCHEMBL1669073 0.70 PPARD (0.39) SLC6A4SLC6A2
SCHEMBL1670870 0.69 MEN1 (0.42) KMT2AMEN1ACHESLC6A4SLC6A3
SCHEMBL12198368 0.68 TSHR (0.44) KMT2AMEN1ACHEDRD4SLC6A4
SCHEMBL1670715 0.68 GPR119 (0.41) KMT2AMEN1

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
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP claimed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO claimed