SCHEMBL7215877

SCHEMBL7215877

COc1cccc(C2CCC(N)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.66
DRD2 P14416 2/20 0.56
ADRA1A P35348 5/20 0.50
HTR1A P08908 3/20 0.50
ADRA1D P25100 3/20 0.50
ADRA1B P35368 3/20 0.50
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
GID4 Q8IVV7 1/20 0.46

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
Hydrochloric Acid SCHEMBL11831331 0.98 HTR2C (0.67) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL1515134 0.91 HTR2C (0.77) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL30997824 0.91 HTR2C (0.77) HTR2CDRD2ADRA1AHTR1AADRA1D
Hydrochloric Acid SCHEMBL7050981 0.89 HTR2C (0.59) HTR2CDRD2ADRA1AHTR1AADRA1D
Methyl Alcohol SCHEMBL8097139 0.87 HTR2C (0.72) HTR2CDRD2ADRA1AHTR1AADRA1D
Ethylamine SCHEMBL8089244 0.86 HTR2C (0.66) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL28695004 0.84 HTR2C (0.68) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL7844832 0.84 HTR2C (0.72) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL1515075 0.84 HTR2C (0.72) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL28695001 0.83 HTR2C (0.66) HTR2CDRD2ADRA1AHTR1AADRA1D

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
EP-1315750-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
WO-2002018437-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed