SCHEMBL11015653

SCHEMBL11015653

COc1cc2c3c(c1OC)CN(C(C)C)CC3c1ccccc1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39
HTR2C P28335 2/20 0.39
PNPLA2 Q96AD5 1/20 0.39
HTR2A P28223 1/20 0.39
KIF11 P52732 1/20 0.38
ADRB2 P07550 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL11007015 0.86 SLC6A2 (0.50) DRD1DRD2HTR7HTR2CPNPLA2
SCHEMBL11005867 0.82 SLC6A2 (0.41) DRD1DRD2HTR7HTR2CPNPLA2
SCHEMBL11014045 0.81 DRD2 (0.40) DRD1DRD2HTR7HTR2CPNPLA2
SCHEMBL11008872 0.80 DRD1 (0.39) DRD1DRD2HTR7HTR2CPNPLA2
SCHEMBL11014467 0.80 BCHE (0.44)
SCHEMBL11010302 0.79 DRD1 (0.48) DRD1DRD2HTR7HTR2CPNPLA2
SCHEMBL11011835 0.77 SLC6A2 (0.40) DRD1DRD2HTR7HTR2CPNPLA2
SCHEMBL11009453 0.74 HTR2A (0.43) DRD1DRD2HTR7HTR2CPNPLA2
Hydrochloric Acid SCHEMBL11006734 0.74 HTR2A (0.42) DRD1DRD2HTR7HTR2CPNPLA2
SCHEMBL11009582 0.71 HTR2A (0.45) DRD1HTR7HTR2CHTR2AADRB2

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-4522946-A FREE OF EXTRA-PYRAMIDAL SIDE EFFECTS AYERST, MCKENNA & HARRISON, INC. (CA) 1985-06-11 US disclosed