SCHEMBL7285804

SCHEMBL7285804

Nc1nc2c(s1)CCN(C/C=C/c1ccccc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.60
DRD2 P14416 4/20 0.60
DRD3 P35462 4/20 0.60
MAPT P10636 3/20 0.60
ADRA2A P08913 2/20 0.60
ADRA2B P18089 2/20 0.60
ADRA2C P18825 2/20 0.60
HTR2A P28223 2/20 0.60
ADRA1A P35348 2/20 0.60
HRH1 P35367 2/20 0.60
OPRK1 P41145 2/20 0.60
HRH3 Q9Y5N1 1/20 0.60
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 3/20 0.59
RAD52 P43351 2/20 0.59
TSHR P16473 3/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 3/20 0.44
MAPK1 P28482 3/20 0.44
CYP3A4 P08684 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
SCHEMBL7294700 1.00 LMNA (0.60) LMNADRD2DRD3MAPTADRA2A
SCHEMBL7285808 1.00 LMNA (0.60) LMNADRD2DRD3MAPTADRA2A
Hydrochloric Acid SCHEMBL7285357 0.98 ALDH1A1 (0.60) LMNADRD2DRD3MAPTADRA2A
SCHEMBL7285061 0.93 DRD2 (0.55) LMNADRD2DRD3MAPTADRA2A
SCHEMBL7292470 0.90 DRD2 (0.60) LMNADRD2DRD3MAPTADRA2A
SCHEMBL7292466 0.90 DRD2 (0.60) LMNADRD2DRD3MAPTADRA2A
SCHEMBL7285026 0.89 DRD2 (0.59) LMNADRD2DRD3MAPTADRA2A
SCHEMBL7285029 0.89 DRD2 (0.59) LMNADRD2DRD3MAPTADRA2A
SCHEMBL7292662 0.88 DRD2 (0.57) LMNADRD2DRD3MAPTADRA2A
SCHEMBL7283520 0.88 DRD2 (0.57) LMNADRD2DRD3MAPTADRA2A

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-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed