SCHEMBL8467847

SCHEMBL8467847

O=C1CC(OCc2cccc3c2Cc2ccccc2-3)C(=O)N1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
RNASEH1 O60930 1/20 0.39
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
GAA P10253 2/20 0.32
AADAT Q8N5Z0 3/20 0.32
GOT1 P17174 1/20 0.32
KYAT1 Q16773 1/20 0.32
KYAT3 Q6YP21 1/20 0.32

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
SCHEMBL789025 0.82 PNMT (0.42) PNMTRNASEH1DRD2DRD4DRD3
SCHEMBL5746141 0.76 PNMT (0.46) PNMTDRD2DRD4DRD3NPC1
SCHEMBL9190905 0.73 PSEN1 (0.42) ALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL8671794 0.72 PNMT (0.55) PNMTDRD2DRD4DRD3NPC1
SCHEMBL5746134 0.71 PNMT (0.51) PNMTRNASEH1DRD2DRD4DRD3
SCHEMBL4059189 0.71 PNMT (0.54) PNMTDRD2DRD4DRD3NPC1
SCHEMBL4816545 0.71 PNMT (0.54) PNMTDRD2DRD4DRD3NPC1
SCHEMBL1830397 0.70 PNMT (0.57) PNMTRNASEH1DRD2DRD4DRD3
SCHEMBL7772754 0.70 PNMT (0.47) PNMTRNASEH1DRD2DRD4DRD3
SCHEMBL1830400 0.69 PNMT (0.55) PNMTDRD2DRD4DRD3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955421-A OXIDATION RESISTANCE; ENHANCING GROWTH HORMONE RELEASE MEDIOLANUM PHARMACEUTICALS LIMITED (IE) 1999-09-21 US disclosed
US-5872100-A Peptides containing D-2-Alkyl-Tryptophan ARDANA BIOSCIENCE LIMITED (GB) 1999-02-16 US disclosed
US-5668254-A BIOACTIVE, OXIDATION RESISTANCE Deghenghi, Romano (CH) 1997-09-16 US disclosed
US-5646301-A INCORPORATION INTO PEPTIDES Deghenghi, Romano (CH) 1997-07-08 US disclosed
US-5635379-A PREPARED FROM N-ALPHA-ACETYL-2-ALKYL TRYPTOPHAN RACEMIC MIXTURE Deghenghi, Romano (CH) 1997-06-03 US disclosed