SCHEMBL8780979

SCHEMBL8780979

CCCCCC(N)c1ccc(OC)cc1OCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.54
AURKB Q96GD4 2/20 0.47
INCENP Q9NQS7 2/20 0.47
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CHRNA7 P36544 1/20 0.40

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
SCHEMBL8781026 0.85 CYP1A2 (0.47) SYKAURKBINCENPABCB1HTR1A
SCHEMBL8780987 0.84 CYP1A2 (0.47) SYKAURKBINCENPABCB1HTR1A
SCHEMBL8781013 0.80 PDE4D (0.45) SYKAURKBINCENPCYP1A2KMT2A
SCHEMBL8781040 0.80 SYK (0.45) SYKAURKBINCENP
SCHEMBL8781190 0.80 CYP1A2 (0.44) SYKAURKBINCENPABCB1HTR1A
SCHEMBL7002429 0.78 HTR2A (0.46) KMT2A
SCHEMBL8780866 0.78 SLC2A1 (0.59) SYKAURKBINCENPCYP1A2KMT2A
SCHEMBL8781006 0.76 SYK (0.47) SYKAURKBINCENPABCB1HTR1A
SCHEMBL8781051 0.75 GPBAR1 (0.53) CYP1A2KMT2A
SCHEMBL8692330 0.75 SYK (0.55) SYKAURKBINCENPABCB1HTR1A

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
EP-0773218-A1 N-(Piperazinylalkoxyphenyl)-N'phenylalkylurea derivatives as ACAT inhibitors for the treatment of atheroschlerosis MITSUBISHI CHEMICAL CORPORATION (JP) 1997-05-14 EP disclosed