SCHEMBL11218388

SCHEMBL11218388

CCOc1ccc(CC(C)NCCOc2ccccc2OC)cc1SC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 7/20 0.66
ADRA1A P35348 7/20 0.66
ADRA1B P35368 7/20 0.66
ADRB2 P07550 3/20 0.66
ADRB1 P08588 1/20 0.66
HTR1A P08908 1/20 0.66
ADRA2A P08913 1/20 0.66
DRD2 P14416 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
HTR2A P28223 1/20 0.66
HTR7 P34969 1/20 0.66
OPRM1 P35372 1/20 0.66
DRD3 P35462 1/20 0.66
HTR2B P41595 1/20 0.66
KCNH2 Q12809 1/20 0.66
SIGMAR1 Q99720 9/20 0.54
SLC6A4 P31645 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9548034 0.97 ADRA1D (0.67) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL51245 0.97 ADRA1D (0.67) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL9548113 0.96 ADRA1D (0.66) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL9548138 0.93 ADRA1D (0.59) ADRA1DADRA1AADRA1BADRB2ADRB1
Oxalic Acid SCHEMBL9548067 0.88 ADRA1D (0.56) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL9548074 0.86 ADRA1D (0.52) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL10820229 0.84 ADRA1D (0.64) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL12284587 0.84 ADRA1D (0.61) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL12284628 0.84 ADRA1D (0.64) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL13067271 0.84 ADRA1D (0.69) ADRA1DADRA1AADRA1BADRB2ADRB1

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
JP-57206652-A None JP disclosed
JP-S57206652-A SUBSTITUTED PHENYL ETHER DERIVATIVE YAMANOUCHI PHARMACEUT CO LTD 1982-12-18 JP disclosed