SCHEMBL8302403

SCHEMBL8302403

C1=CC2Oc3c(-c4ccccc4)cccc3C2C=C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.36
TMEM97 Q5BJF2 3/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
PIM1 P11309 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ADRA2A P08913 3/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 3/20 0.32
ALDH1A1 P00352 1/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31

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
SCHEMBL22106380 0.89 HTR7 (0.32) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL21764556 0.89 AKR1C3 (0.32) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL12846115 0.86 EDNRB (0.31)
SCHEMBL25546106 0.86 KIT (0.37)
SCHEMBL10069124 0.85
SCHEMBL21861098 0.85 MEN1 (0.33)
SCHEMBL23316120 0.84 EDNRB (0.30)
SCHEMBL19622728 0.84
SCHEMBL23027657 0.83 ENPP3 (0.31)
SCHEMBL23921290 0.83 KDM4E (0.40) ALDH1A1

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
WO-2004094461-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2003033671-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-24 WO disclosed