SCHEMBL551680

SCHEMBL551680

COc1cc(OC)nc(N2CCCC3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
HTR1A P08908 1/20 0.36
TSPO P30536 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 4/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
CHEK1 O14757 1/20 0.32

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
SCHEMBL550543 1.00 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ATSPOTSHR
SCHEMBL2698071 1.00 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ATSPOTSHR
SCHEMBL550544 1.00 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ATSPOTSHR
SCHEMBL2698066 1.00 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ATSPOTSHR
SCHEMBL551681 1.00 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ATSPOTSHR
SCHEMBL4570110 0.94 ALDH1A1 (0.43) HCRTR1HCRTR2TSHRALDH1A1HPGD
SCHEMBL549959 0.84 HSD11B1 (0.35) HCRTR1HCRTR2HTR1ATSPOHSD11B1
SCHEMBL550026 0.84 HSD11B1 (0.35) HCRTR1HCRTR2HTR1ATSPOHSD11B1
SCHEMBL549960 0.84 HSD11B1 (0.35) HCRTR1HCRTR2HTR1ATSPOHSD11B1
SCHEMBL2700934 0.84 HSD11B1 (0.35) HCRTR1HCRTR2HTR1ATSPOHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed