SCHEMBL10993376

SCHEMBL10993376

COc1cc2c(cc1OC)C(CN1CCN(c3ccccc3OC)CC1)OCCC2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.53
ADRA1D P25100 6/20 0.53
DRD2 P14416 5/20 0.53
HTR2A P28223 2/20 0.53
ADRA1A P35348 6/20 0.52
ADRA1B P35368 5/20 0.52
DRD3 P35462 2/20 0.52
DRD4 P21917 2/20 0.52
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR2C P28335 3/20 0.47
SIGMAR1 Q99720 1/20 0.47

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 SCHEMBL10994641 0.99 HTR1A (0.52) HTR1AADRA1DDRD2HTR2AADRA1A
SCHEMBL10989155 0.92 DRD2 (0.44) HTR1AADRA1DDRD2HTR2AADRA1A
SCHEMBL10991792 0.90 DRD2 (0.52) HTR1ADRD2HTR2ADRD4HTR2C
SCHEMBL10992548 0.88 HTR1A (0.45) HTR1ADRD2HTR2AADRA1ADRD3
Hydrochloric Acid SCHEMBL10994952 0.88 DRD2 (0.51) HTR1ADRD2HTR2ADRD4HTR2C
Hydrochloric Acid SCHEMBL10994954 0.88 DRD2 (0.51) HTR1ADRD2HTR2ADRD4HTR2C
SCHEMBL10990256 0.86 DRD2 (0.49) HTR1ADRD2HTR2AADRA1ADRD3
Hydrochloric Acid SCHEMBL11551804 0.86 DRD2 (0.49) HTR1ADRD2HTR2AADRA1ADRD3
SCHEMBL10993273 0.85 KCNN2 (0.44) KDM4ELMNA
SCHEMBL9131918 0.85 KDM4E (0.47) HTR1AADRA1DDRD2HTR2AADRA1A

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-4556656-A HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS THE UPJOHN COMPANY (US) 1985-12-03 US claimed