SCHEMBL19540902

SCHEMBL19540902

CN(C(=O)OCc1ccccc1)C1CCCc2ccc(Br)cc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.64
HTR1A P08908 1/20 0.64
CHRM5 P08912 1/20 0.64
ADRA2A P08913 1/20 0.64
ADRA2B P18089 1/20 0.64
DRD1 P21728 1/20 0.64
DRD4 P21917 1/20 0.64
DRD5 P21918 1/20 0.64
ADRA1D P25100 1/20 0.64
HTR1D P28221 1/20 0.64
HTR1B P28222 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
TSPO P30536 1/20 0.64
HTR7 P34969 1/20 0.64
ADRA1A P35348 1/20 0.64
HRH1 P35367 1/20 0.64
DRD3 P35462 1/20 0.64
HTR2B P41595 1/20 0.64
HTR6 P50406 1/20 0.64

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
SCHEMBL6491975 0.94 TMEM97 (0.56) TMEM97HTR1ACHRM5ADRA2AADRA2B
SCHEMBL19540968 0.88 TMEM97 (0.56) TMEM97HTR1ACHRM5ADRA2AADRA2B
SCHEMBL19540912 0.87 TMEM97 (0.64) TMEM97HTR1ACHRM5ADRA2AADRA2B
SCHEMBL19540843 0.87 TMEM97 (0.61) TMEM97HTR1ACHRM5ADRA2AADRA2B
SCHEMBL19521052 0.82 TMEM97 (0.85) TMEM97HTR1ACHRM5ADRA2AADRA2B
SCHEMBL19521054 0.81 TMEM97 (0.58) TMEM97HTR1ACHRM5ADRA2AADRA2B
SCHEMBL19540915 0.81 TMEM97 (0.57) TMEM97HTR1ACHRM5ADRA2AADRA2B
SCHEMBL22004629 0.81 TMEM97 (0.44) TMEM97HTR1ACHRM5ADRA2AADRA2B
SCHEMBL19521146 0.81 TMEM97 (0.77) TMEM97HTR1ACHRM5ADRA2AADRA2B
SCHEMBL19521109 0.81 TMEM97 (0.77) TMEM97HTR1ACHRM5ADRA2AADRA2B

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
WO-2017190107-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-02 WO disclosed