SCHEMBL5324869

SCHEMBL5324869

CCCNCC1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.38
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
DRD4 P21917 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
NAMPT P43490 4/20 0.33
MAP4K4 O95819 1/20 0.32
TRPC5 Q9UL62 1/20 0.31

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
SCHEMBL4962562 0.88 SAT1 (0.45) SAT1GNAI3GNAO1GNAI1POLB
SCHEMBL23219671 0.85 GNAI3 (0.54) SAT1GNAI3GNAO1GNAI1NAMPT
SCHEMBL8551637 0.83
SCHEMBL6929311 0.83 DRD4 (0.38) DRD4PDCD1CD274NAMPTMAP4K4
SCHEMBL1249532 0.80 DRD4 (0.36) SAT1GNAI3GNAO1GNAI1DRD4
SCHEMBL8834672 0.77 CASP2 (0.38) SAT1GNAI3GNAO1GNAI1DRD4
SCHEMBL22481630 0.76 EGLN2 (0.34) DRD4NAMPTMAP4K4
SCHEMBL95570 0.75
SCHEMBL11420212 0.75 SAT1 (0.60) SAT1GNAI3GNAO1GNAI1POLB
SCHEMBL18236910 0.74 GPR88 (0.36) DRD4PDCD1CD274GPR88NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
EP-0649845-B1 Furanyl insecticide MITSUI CHEMICALS INC (JP) 1998-07-22 EP disclosed
US-5532365-A NITROGUANIDINE COMPOUNDS AS INSECTICIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-02 US disclosed
US-5434181-A FOR USE IN AGRICULTURAL CHEMICALS MITSUI TOATSU CHEMICALS, INC. (JP) 1995-07-18 US disclosed
EP-0649845-A1 Furanyl insecticide MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-04-26 EP disclosed