SCHEMBL5779552

SCHEMBL5779552

O=C(O)c1ccc2c(c1)nc(CCO)n2-c1cccc(N2CCN(CCO)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HTR7 P34969 2/20 0.38
TTR P02766 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL5782722 0.91 HPGD (0.44) HPGDHSD17B10THRBMAPTKDM4E
SCHEMBL5782481 0.91 HSD17B10 (0.47) HPGDHSD17B10THRBKDM4EALDH1A1
SCHEMBL4703390 0.91 THRB (0.46) HPGDHSD17B10THRBMAPTTSHR
SCHEMBL5779153 0.90 HPGD (0.49) HPGDHSD17B10THRBMAPTKDM4E
SCHEMBL5780598 0.87 THRB (0.46) HPGDHSD17B10THRBMAPTTSHR
SCHEMBL5778720 0.86 KDM4E (0.41) HPGDHSD17B10THRBTSHRKDM4E
SCHEMBL5780819 0.86 HPGD (0.49) HPGDHSD17B10THRBTSHRALDH1A1
SCHEMBL4703168 0.85 THRB (0.48) HPGDHSD17B10THRBMAPTTSHR
SCHEMBL5779546 0.84 HSD17B10 (0.44) HPGDHSD17B10THRBMAPTKDM4E
SCHEMBL4703393 0.83 THRB (0.46) HPGDHSD17B10THRBKDM4EALDH1A1

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
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP claimed