SCHEMBL8908279

SCHEMBL8908279

O=c1[nH]c2c([nH]c1=O)C(N1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
CACNA1G O43497 2/20 0.44
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APP P05067 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.39
DRD3 P35462 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2B P41595 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL8908407 0.81 ALDH1A1 (0.39) CACNA1GALDH1A1POLBGAASMN1; SMN2
SCHEMBL8908933 0.80 HTR2C (0.40) CACNA1GALDH1A1POLBGAASMN1; SMN2
SCHEMBL8908855 0.79 CYP1A2 (0.44) RAB9ACACNA1GALDH1A1POLBGAA
SCHEMBL8908448 0.76 ALDH1A1 (0.43) CACNA1GALDH1A1POLBGAASMN1; SMN2
SCHEMBL8909181 0.73 HTR2C (0.49) ALDH1A1POLBKMT2AMEN1DRD3
SCHEMBL11276187 0.71 RAB9A (0.51) RAB9ACACNA1GALDH1A1POLBGAA
SCHEMBL8175607 0.66 OPRM1 (0.78) ALDH1A1NPSR1KMT2AMEN1DRD3
SCHEMBL7977689 0.66 OPRM1 (0.78) ALDH1A1NPSR1KMT2AMEN1DRD3
SCHEMBL3919536 0.66 OPRM1 (0.78) ALDH1A1NPSR1KMT2AMEN1DRD3
SCHEMBL8186671 0.66 OPRM1 (0.78) ALDH1A1NPSR1KMT2AMEN1DRD3

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-0682657-B1 9H-INDENO[1,2-b]PYRAZINE-3(4H)-ONES AND 9H-INDENO[1,2-b]PYRAZINE-2,3(1H,4H)-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-11-19 EP claimed