SCHEMBL10559503

SCHEMBL10559503

CCS(=O)(=O)c1cc(C(=O)NC(CC2CC2)C2CCCN2)c(OC)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD3 P35462 3/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
HTR2B P41595 2/20 0.53
KCNH2 Q12809 2/20 0.53
HRH3 Q9Y5N1 2/20 0.53
ADRA2A P08913 2/20 0.53
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HTR2A P28223 1/20 0.53
MAPK1 P28482 1/20 0.53
HTR7 P34969 1/20 0.53
HRH1 P35367 1/20 0.53
HTR4 Q13639 4/20 0.39
SLC6A4 P31645 1/20 0.36
ACHE P22303 1/20 0.35
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL10564984 0.97 DRD2 (0.52) DRD2DRD3ADRA2BADRA2CHTR2B
SCHEMBL10559935 0.97 DRD2 (0.52) DRD2DRD3ADRA2BADRA2CHTR2B
SCHEMBL10563605 0.96 DRD2 (0.51) DRD2DRD3ADRA2BADRA2CHTR2B
SCHEMBL21055572 0.92 DRD2 (0.53) DRD2DRD3ADRA2BADRA2CHTR2B
SCHEMBL3314494 0.92 DRD2 (0.53) DRD2DRD3ADRA2BADRA2CHTR2B
SCHEMBL21054909 0.92 DRD2 (0.53) DRD2DRD3ADRA2BADRA2CHTR2B
SCHEMBL10561934 0.91 DRD2 (0.49) DRD2DRD3ADRA2BADRA2CHTR2B
SCHEMBL10561655 0.90 DRD2 (0.42) DRD2DRD3ADRA2BADRA2CHTR2B
SCHEMBL7380370 0.88 DRD2 (0.55) DRD2DRD3ADRA2BADRA2CHTR2B
SCHEMBL7372752 0.86 LMNA (0.47) DRD2DRD3ADRA2BADRA2CHTR2B

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
US-4816471-A NERVOUS SYSTEM DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILLE-DE FRANCE (FR) 1989-03-28 US claimed