SCHEMBL8330431

SCHEMBL8330431

Clc1cc(C=CCN2CCC3(CCCCC3)CC2)ccc1C1CCCCC1.Clc1cc(CCCN2CCC3(CCCCC3)CC2)ccc1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.43
EBP Q15125 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HRH3 Q9Y5N1 3/20 0.36
HTR1A P08908 3/20 0.36
ADRA1B P35368 3/20 0.36
GAA P10253 1/20 0.33
DHCR7 Q9UBM7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 1/20 0.33
GPR183 P32249 1/20 0.33

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
SCHEMBL8330429 1.00 SIGMAR1 (0.43) SIGMAR1EBPTMEM97HRH3HTR1A
SCHEMBL30494033 0.89 SIGMAR1 (0.51) SIGMAR1EBPTMEM97HTR1AADRA1B
SCHEMBL8524209 0.89 SIGMAR1 (0.51) SIGMAR1EBPTMEM97HTR1AADRA1B
SCHEMBL25317113 0.89 SIGMAR1 (0.51) SIGMAR1EBPTMEM97HTR1AADRA1B
SCHEMBL7317908 0.89 SIGMAR1 (0.45) SIGMAR1EBPTMEM97HRH3HTR1A
SCHEMBL7317905 0.89 SIGMAR1 (0.45) SIGMAR1EBPTMEM97HRH3HTR1A
SCHEMBL7317897 0.89 SIGMAR1 (0.45) SIGMAR1EBPTMEM97HRH3HTR1A
Hydrochloric Acid SCHEMBL7324536 0.88 SIGMAR1 (0.50) SIGMAR1EBPTMEM97HTR1AADRA1B
Hydrochloric Acid SCHEMBL7324521 0.88 SIGMAR1 (0.50) SIGMAR1EBPTMEM97HTR1AADRA1B
Hydrochloric Acid SCHEMBL7324525 0.88 SIGMAR1 (0.50) SIGMAR1EBPTMEM97HTR1AADRA1B

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
EP-0917464-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1999-05-26 EP disclosed
WO-1998004251-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1998-02-05 WO disclosed