SCHEMBL3244751

SCHEMBL3244751

O=C(c1cccc(Cl)n1)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.66
NPC1 O15118 6/20 0.56
HPGD P15428 4/20 0.56
GLA P06280 1/20 0.56
HTR2C P28335 1/20 0.52
RAB9A P51151 5/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
PTK2 Q05397 1/20 0.49
ALDH1A1 P00352 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.46
KLF5 Q13887 1/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3249427 0.98 GNE (0.68) GNENPC1HPGDGLAHTR2C
SCHEMBL28467301 0.85 GNE (0.51) GNENPC1HPGDGLAHTR2C
SCHEMBL31395167 0.84 HRH4 (0.53) GNENPC1HPGDRAB9ATP53
SCHEMBL3239132 0.84 HTR2C (0.54) GNENPC1HPGDHTR2CRAB9A
SCHEMBL3248885 0.83 CNR2 (0.54) GNENPC1HPGDGLAHTR2C
SCHEMBL12751750 0.81 HSD11B1 (0.67) GNENPC1HPGDRAB9ATP53
SCHEMBL12168473 0.81 GNE (0.97) GNENPC1HPGDGLAHTR2C
SCHEMBL2532948 0.80 GNE (0.66) GNENPC1HPGDGLAHTR2C
SCHEMBL12753626 0.78 HSD11B1 (0.73) GNENPC1HPGDGLAHTR2C
SCHEMBL12753566 0.78 HSD11B1 (0.73) GNENPC1HPGDGLAHTR2C

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-2186516-B1 Novel benzazepine derivative GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2186516-A1 Novel benzazepine derivative Glaxo Group Limited (GB) 2010-05-19 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
EP-1572215-B1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed