SCHEMBL8203538

SCHEMBL8203538

CC(C)=NN=Cc1ccc2c(c1)C[C]=CN2

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 5/20 0.31
NPFFR1 Q9GZQ6 3/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FURIN P09958 2/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
GRIN2D O15399 3/20 0.30
GRIN3B O60391 3/20 0.30
GRIN1 Q05586 3/20 0.30
GRIN2A Q12879 3/20 0.30
GRIN2B Q13224 3/20 0.30
GRIN2C Q14957 3/20 0.30
GRIN3A Q8TCU5 3/20 0.30
F2 P00734 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
SCHEMBL16686431 0.50 MAPT (0.50) KMT2AMAPT
SCHEMBL13940984 0.49 GRIN2D (1.00) KMT2AFURINNPC1GRIN2DGRIN3B
SCHEMBL11744106 0.48 NPC1 (0.54) KMT2ANPC1MAPTRAB9AGRIN2D
SCHEMBL15951399 0.48 POLB (1.00) KMT2ANPC1MAPTRAB9A
SCHEMBL16993712 0.47 NPFFR2 (1.00) NPFFR2NPFFR1KMT2ANPSR1FURIN
Hydrochloric Acid SCHEMBL5703122 0.47 GRIN2D (0.68) NPFFR2NPFFR1KMT2ANPSR1FURIN
SCHEMBL16993741 0.47 NPFFR2 (1.00) NPFFR2NPFFR1KMT2ANPSR1FURIN
SCHEMBL14197990 0.47 GRIN2D (0.70) KMT2AFURINNPC1MAPTRAB9A
SCHEMBL13521557 0.47 NPC1 (0.58) KMT2AFURINNPC1MAPTRAB9A
SCHEMBL12745011 0.46 ALDH1A1 (0.46) KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027362-A1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES Abbott Laboratories (US) 2000-08-16 EP claimed
WO-1999021871-A1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES ABBOTT LABORATORIES (US) 1999-05-06 WO claimed
EP-1027362-A1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES Abbott Laboratories (US) 2000-08-16 EP disclosed
WO-1999021871-A1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES ABBOTT LABORATORIES (US) 1999-05-06 WO disclosed