SCHEMBL9870819

SCHEMBL9870819

CCOC(=O)C(CCN1CCCC(CC(=O)c2ccc(F)cc2)C1)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
CYP2D6 P10635 2/20 0.43
CCR3 P51677 2/20 0.43
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9870722 0.94 DRD2 (0.52) KMT2AMEN1DRD2HTR2AHTR2C
SCHEMBL9630470 0.82 MEN1 (0.45) KMT2AMEN1CYP2D6CCR3KDM4E
SCHEMBL7383749 0.80 DRD2 (0.56) KMT2AMEN1DRD2HTR2AHTR2C
SCHEMBL9870507 0.79 DRD2 (0.55) KMT2AMEN1DRD2HTR2AHTR2C
SCHEMBL9872824 0.79 HTR2A (0.56) KMT2AMEN1HTR2AHTR2CCYP2D6
SCHEMBL9870458 0.78 DRD2 (0.54) KMT2AMEN1DRD2HTR2AHTR2C
SCHEMBL9870941 0.77 DRD2 (0.57) KMT2AMEN1DRD2HTR2AHTR2C
SCHEMBL9630285 0.76 OPRM1 (0.44) KMT2AMEN1DRD2HTR2AHTR2C
SCHEMBL8557302 0.74 DRD2 (0.54) KMT2AMEN1DRD2HTR2AHTR2C
SCHEMBL10963542 0.73 HTR2A (0.54) HTR2AHTR2CCYP2D6KCNH2KDM4E

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
US-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 US disclosed