SCHEMBL5500901

SCHEMBL5500901

[CH](Cc1cccc2cc3ccccc3cc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
RELA Q04206 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2C19 P33261 3/20 0.35
HTR2A P28223 2/20 0.35
HIF1A Q16665 2/20 0.35
NR1I2 O75469 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL5010806 0.83 TDP1 (0.48) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL729990 0.78 GABRA1 (0.44) RAB9AALDH1A1KDM4EGAAMEN1
SCHEMBL1612210 0.78 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1KDM4EGAA
Anthracene SCHEMBL28476048 0.78 GABRA1 (0.44) RAB9AALDH1A1KDM4EGAAMEN1
SCHEMBL30083979 0.78 GABRA1 (0.44) RAB9AALDH1A1KDM4EGAAMEN1
SCHEMBL28155105 0.78 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL1116337 0.76 GABRA1 (0.43) RAB9AALDH1A1KDM4EGAAMEN1
SCHEMBL6524646 0.76 GABRA1 (0.43) RAB9AALDH1A1KDM4EGAAMEN1
SCHEMBL29058800 0.76 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL5716411 0.76 HTR2A (0.50) RAB9ANPC1RELAALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572892-A4 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2007-08-22 EP disclosed
EP-1572892-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2005-09-14 EP 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