SCHEMBL9508302

SCHEMBL9508302

Oc1ccc2c(c1)SNC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DRD2 P14416 4/20 0.34
PBRM1 Q86U86 1/20 0.34
DRD4 P21917 1/20 0.34
DRD1 P21728 2/20 0.33
CYP3A4 P08684 1/20 0.33
DRD3 P35462 2/20 0.32
DRD5 P21918 1/20 0.32
TYR P14679 1/20 0.32
ESR2 Q92731 2/20 0.32
OPRK1 P41145 1/20 0.32
ESR1 P03372 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL14292749 0.75 EPHX2 (0.38) CYP3A4ALDH1A1
SCHEMBL5290053 0.75 MAPT (0.35) DRD3ALDH1A1LMNA
SCHEMBL29700011 0.69
Methyl Alcohol SCHEMBL5345590 0.68 RYR2 (0.42) MAOB
SCHEMBL28993067 0.67 RYR2 (0.45) MAOAMAOBCYP3A4ALDH1A1
Water SCHEMBL28227861 0.67 RYR2 (0.45) MAOAMAOBCYP3A4ALDH1A1
SCHEMBL4579661 0.67 RYR2 (0.45) MAOAMAOBCYP3A4ALDH1A1
SCHEMBL7781679 0.67 RYR2 (0.45) MAOAMAOBCYP3A4ALDH1A1
SCHEMBL329946 0.64 DRD2 (0.46) DRD2PBRM1DRD4DRD1DRD3
SCHEMBL30015222 0.64 DRD2 (0.46) DRD2PBRM1DRD4DRD1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210449-B1 PROLONGED CHEMILUMINESCENCE MILES INC. (US) 1993-07-28 EP claimed
EP-0228046-B1 METHOD OF INCREASING THE QUANTUM YIELD IN THE OXIDATION OF LUMINOL BY PEROXIDE IN THE PRESENCE OF PEROXIDASE Roche Diagnostics GmbH (DE) 1992-03-25 EP disclosed
EP-0228046-A2 Method of increasing the quantum yield in the oxidation of luminol by peroxide in the presence of peroxidase Roche Diagnostics GmbH (DE) 1987-07-08 EP disclosed