SCHEMBL28069280

SCHEMBL28069280

CC(Cn1ncc2ccc(O)cc21)C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.71
HTR2C P28335 11/20 0.71
HTR2B P41595 8/20 0.71
HTR1A P08908 2/20 0.71
ADRA2A P08913 2/20 0.71
ADRA2B P18089 2/20 0.71
ADRA2C P18825 2/20 0.71
HTR1D P28221 1/20 0.71
HTR7 P34969 1/20 0.71
HTR4 Q13639 1/20 0.71
KMO O15229 9/20 0.57

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
SCHEMBL28069278 1.00 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL475894 0.83 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6088764 0.83 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4779282 0.83 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31079586 0.83 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL27645810 0.83 HTR2A (0.78) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4950686 0.81 HTR2A (0.76) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL5843607 0.81 HTR2A (0.76) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL5636655 0.79 HTR2A (0.64) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4946400 0.79 HTR2A (0.64) HTR2AHTR2CHTR2BHTR1AADRA2A

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
CN-105636438-A Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof CHEN JIANHONG 2016-06-01 CN claimed
CN-105636438-A Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof CHEN JIANHONG 2016-06-01 CN disclosed