SCHEMBL1834469

SCHEMBL1834469

O=C(O)N1CCC(n2cnc3ccccc32)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.63
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 1/20 0.58
DRD2 P14416 1/20 0.58
SLC6A4 P31645 1/20 0.58
OPRM1 P35372 1/20 0.54
OPRL1 P41146 1/20 0.54
FPR2 P25090 1/20 0.53
PKM P14618 1/20 0.51
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.49
CCR5 P51681 2/20 0.48
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
IKZF3 Q9UKT9 1/20 0.46
MGLL Q99685 1/20 0.45
JAK1 P23458 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44

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
SCHEMBL19658653 0.87 USP2 (0.65) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL13853782 0.84 USP2 (0.71) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL19652153 0.84 USP2 (0.61) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL1868756 0.82 GAA (0.52) USP2KMT2AALDH1A1FPR2HSD17B10
SCHEMBL13155876 0.82 USP2 (0.56) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL19658662 0.82 USP2 (0.59) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL5857192 0.81 SMN1; SMN2 (0.57) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL1870574 0.81 DDB1 (0.50) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL432010 0.81 DRD2 (0.65) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL6246964 0.81 HCAR1 (0.59) USP2KMT2AALDH1A1DRD2SLC6A4

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
EP-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 EP claimed
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 EP claimed
EP-2160098-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS Commissariat a L'Energie Atomique (FR) 2010-03-10 EP claimed
WO-2008146174-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO claimed
EP-1997381-A1 Use of a compound having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions Commissariat à l'Energie Atomique (FR) 2008-12-03 EP claimed