SCHEMBL23400623

SCHEMBL23400623

Cc1c(O)cnn1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.41
HTR2C P28335 7/20 0.41
HTR2B P41595 6/20 0.41
ACHE P22303 2/20 0.36
HTR1A P08908 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR1D P28221 1/20 0.35
HTR7 P34969 1/20 0.35
HTR4 Q13639 1/20 0.35
HTT P42858 1/20 0.33
TOP2A P11388 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE9A O76083 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL23401219 0.79 HTR2A (0.35) HTR2AHTR2CHTR2BACHEHTR1A
SCHEMBL6156321 0.79 POLB (0.38) HTR2AHTR2CHTR2BACHEHTR1A
SCHEMBL23400602 0.78 HTR2A (0.36) HTR2AHTR2CHTR2BACHEHTR1A
SCHEMBL23403028 0.77 HTR2A (0.36) HTR2AHTR2CHTR2BACHEHTR1A
SCHEMBL23399070 0.77 HTR2A (0.36) HTR2AHTR2CHTR2BACHEHTR1A
SCHEMBL23399914 0.77
SCHEMBL23403139 0.76 HTR2A (0.37) HTR2AHTR2CHTR2BACHEHTR1A
SCHEMBL6154539 0.76 HTR2A (0.34) HTR2AHTR2CHTR2BACHEHTR1A
SCHEMBL30200837 0.76 HTR2A (0.33) HTR2AHTR2CHTR2BACHETOP2A
SCHEMBL21502008 0.74 TOP2A (0.34) HTR2AHTR2CHTR2BTOP2ASMN1; SMN2

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed