SCHEMBL9012854

SCHEMBL9012854

CN(C)CCc1cc(=O)c(O)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.42
HTR2C P28335 7/20 0.42
HTR2B P41595 6/20 0.42
HTR1A P08908 7/20 0.40
APP P05067 3/20 0.39
HTR6 P50406 4/20 0.39
HTR1B P28222 3/20 0.39
HTR7 P34969 3/20 0.39
HTR5A P47898 3/20 0.39
HTR1D P28221 3/20 0.39
SLC6A4 P31645 2/20 0.39
HTR1E P28566 2/20 0.39
DRD1 P21728 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
DRD3 P35462 1/20 0.39
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL9012918 0.82 APP (0.41) HTR2AHTR2CHTR2BAPP
SCHEMBL13422405 0.76 DAO (0.45) APP
SCHEMBL10892930 0.74 APP (0.40) APP
SCHEMBL7934352 0.74 TYR (0.41) APP
SCHEMBL9049550 0.72 APP (0.39) APPADRA1A
SCHEMBL4140429 0.72 TYR (0.39) APP
SCHEMBL16231793 0.72 ACHE (0.40)
SCHEMBL23863961 0.71 DAO (0.50) APP
SCHEMBL16231783 0.70 MAPK1 (0.39) APP
SCHEMBL16231972 0.69 APP (0.37) APP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345671-B1 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-08-21 EP disclosed
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5244890-A Treatment of infectious diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 EP disclosed