SCHEMBL8555360

SCHEMBL8555360

OC(CCc1cccnc1)COc1ccc2cc(OCC3CC3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ACACB O00763 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL8477895 1.00 NAMPT (0.43) NAMPTADORA2AADORA1ACACBKDM5A
SCHEMBL27493713 0.90 PPARD (0.38) NAMPTADORA2AADORA1ACACBKDM5A
SCHEMBL8482404 0.90 PPARD (0.38) NAMPTADORA2AADORA1ACACBKDM5A
SCHEMBL8479757 0.86 POLB (0.52) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL8479934 0.84 ADRB1 (0.45) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL7963443 0.83 CYP3A4 (0.52) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL8480213 0.83 ALOX5 (0.49) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL7964059 0.83 CYP3A4 (0.52) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL8477139 0.83 ALOX5 (0.49) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL8476796 0.80 ALDH1A1 (0.45) NAMPTMEN1KMT2APOLBALDH1A1

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
CN-1208403-A Compounds BRITISH ASTRA PHARMACEUTICALS (GB) 1999-02-17 CN disclosed
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed