SCHEMBL11034548

SCHEMBL11034548

CCC1=Cc2ccccc2C1C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.33
HTR2C P28335 6/20 0.33
HTR2B P41595 6/20 0.33
HRH3 Q9Y5N1 5/20 0.33
PRCP P42785 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
KMT2A Q03164 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
SCHEMBL28401867 0.83 HTR2A (0.34) HTR2AHTR2CHTR2BHRH3PRCP
SCHEMBL28408174 0.81 HTR1D (0.33) HTR2AHTR2CHTR2BHRH3HTR1D
SCHEMBL7164210 0.78 PRCP (0.36) HTR2AHTR2CHTR2BHRH3PRCP
SCHEMBL28369346 0.76 SIGMAR1 (0.33) BCHEACHE
SCHEMBL2806120 0.74 HTR2A (0.33) HTR2AHTR2CHTR2BHRH3PRCP
SCHEMBL5331264 0.73 PTGDR2 (0.36) HTR2AHTR2CHTR2BHRH3PRCP
Hydrochloric Acid SCHEMBL6567139 0.72 CYP11B1 (0.34) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL6890250 0.72 CYP11B1 (0.32) HTR1DHTR1BCYP11B1CYP11B2
SCHEMBL1452158 0.72 HTR2A (0.39) HTR2AHTR2CHTR2BCYP11B1CYP11B2
SCHEMBL8648643 0.71 PTGDR2 (0.33) PRCPIDO1TDO2HTR1DHTR1B

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-0133658-A2 Flame retardant non-dripping polycarbonate compositions GENERAL ELECTRIC COMPANY (US) 1985-03-06 EP disclosed