SCHEMBL23837686

SCHEMBL23837686

CC1CCCc2c(N=O)cccc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
HTR2C P28335 1/20 0.33
HRH3 Q9Y5N1 6/20 0.33
HRH2 P25021 4/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
HPGD P15428 1/20 0.31
PDE9A O76083 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL8625962 0.77 HTR2C (0.35) CA1CA2HTR2C
SCHEMBL29659736 0.77 ADRA2A (0.44) CA1CA2HTR2CHRH3HRH2
SCHEMBL598145 0.77 ADRA2A (0.44) CA1CA2HTR2CHRH3HRH2
SCHEMBL17192148 0.74 GID4 (0.42) HTR2CHRH3HRH2
SCHEMBL22143863 0.74 DRD2 (0.40) HTR2CHRH3HRH2TAS1R3TAS1R1
SCHEMBL17192147 0.74 GID4 (0.42) HTR2CHRH3HRH2
SCHEMBL12270073 0.74 GID4 (0.42) HTR2CHRH3HRH2
SCHEMBL1660087 0.74 ADRA2A (0.50) TAS1R3TAS1R1TAS1R2
SCHEMBL12961288 0.72 POLL (0.40) ACHE
SCHEMBL12434029 0.71 HRH3 (0.35) CA1CA2HTR2CHRH3HRH2

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-3137478-B1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF AGILENT TECHNOLOGIES INC (US) 2021-09-22 EP disclosed