SCHEMBL6553452

SCHEMBL6553452

O=C(OCc1ccccc1)c1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 2/20 0.50
LTB4R Q15722 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP12 P39900 2/20 0.48
MMP1 P03956 1/20 0.48
ALOX5 P09917 2/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
STAT1 P42224 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
SCHEMBL6553813 0.92 MMP2 (0.48) TDP1KMT2ALTB4RSLC6A2SLC6A3
SCHEMBL7042642 0.92 ALOX5 (0.57) TDP1KMT2ALTB4RSLC6A2SLC6A3
SCHEMBL6552425 0.83 LTB4R (0.57) KMT2ALTB4RALDH1A1TSHR
SCHEMBL22292189 0.77 RAB9A (0.52) TDP1KMT2ASLC6A2SLC6A3MMP2
SCHEMBL21240753 0.77 DAGLA (0.54) TDP1KMT2ASLC6A2SLC6A3MMP2
SCHEMBL7047760 0.75 LTB4R (0.49) TDP1KMT2ALTB4RALDH1A1LMNA
SCHEMBL7044996 0.75 TRPM8 (0.46) TDP1KMT2AALOX5ALDH1A1LMNA
SCHEMBL22048694 0.73 LTB4R (0.50) LTB4RALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4701791 0.73 ALDH1A1 (0.57) LTB4RALOX5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14768871 0.72 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed
EP-1482794-A1 METHOD OF TREATMENT OR PREVENTION OF OBESITY Merck & Co., Inc. (US) 2004-12-08 EP disclosed
WO-2003075660-A1 METHOD OF TREATMENT OR PREVENTION OF OBESITY MERCK & CO., INC. (US) 2003-09-18 WO disclosed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed