SCHEMBL7286290

SCHEMBL7286290

Nc1nc2c(s1)CCN(C/C=C\c1ccccn1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.56
DRD3 P35462 6/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
HTR2A P28223 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
OPRK1 P41145 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
RAD52 P43351 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RECQL P46063 1/20 0.43
KCNH2 Q12809 2/20 0.41
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7294825 1.00 DRD2 (0.56) DRD2DRD3MAPTLMNAADRA2A
SCHEMBL7286300 1.00 DRD2 (0.56) DRD2DRD3MAPTLMNAADRA2A
Hydrochloric Acid SCHEMBL7293712 0.99 MAPT (0.57) DRD2DRD3MAPTLMNAADRA2A
SCHEMBL7291765 0.85 DRD2 (0.53) DRD2DRD3MAPTLMNAADRA2A
SCHEMBL7291768 0.85 DRD2 (0.53) DRD2DRD3MAPTLMNAADRA2A
SCHEMBL7284189 0.84 DRD2 (0.52) DRD2DRD3MAPTLMNAADRA2A
SCHEMBL7284182 0.84 DRD2 (0.52) DRD2DRD3MAPTLMNAADRA2A
SCHEMBL7285804 0.84 LMNA (0.60) DRD2DRD3MAPTLMNAADRA2A
SCHEMBL7285808 0.84 LMNA (0.60) DRD2DRD3MAPTLMNAADRA2A
SCHEMBL7294700 0.84 LMNA (0.60) DRD2DRD3MAPTLMNAADRA2A

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 2 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