SCHEMBL5815980

SCHEMBL5815980

CCOCCc1nc2cc(C(=O)O)ccc2n1-c1cccc(C2CCN(C)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
THRB P10828 1/20 0.43
HCAR3 P49019 1/20 0.43
HPGD P15428 4/20 0.42
MCHR1 Q99705 5/20 0.42
HSD17B10 Q99714 1/20 0.41
ASAH1 Q13510 1/20 0.41
PTGER4 P35408 2/20 0.39
RXRA P19793 1/20 0.39
PPARG P37231 1/20 0.39
NR1H3 Q13133 1/20 0.39
HRH2 P25021 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL5782346 0.91 THRB (0.47) LMNAL3MBTL1THRBHCAR3HPGD
SCHEMBL5812811 0.87 THRB (0.46) LMNAL3MBTL1THRBHCAR3HPGD
SCHEMBL4703386 0.84 MCHR1 (0.47) THRBHCAR3HPGDMCHR1HSD17B10
SCHEMBL5778385 0.83 THRB (0.46) THRBHPGDMCHR1HSD17B10PTGER4
SCHEMBL4703387 0.81 THRB (0.44) THRBHCAR3HPGDMCHR1HSD17B10
SCHEMBL4702408 0.78 THRB (0.44) THRBHCAR3HPGDHSD17B10PTGER4
SCHEMBL5782343 0.78 THRB (0.48) L3MBTL1THRBHCAR3HPGDMCHR1
SCHEMBL5777980 0.78 THRB (0.49) LMNAL3MBTL1THRBHCAR3HPGD
SCHEMBL4698566 0.75 HCAR3 (0.42) LMNAL3MBTL1THRBHCAR3HPGD
SCHEMBL5782481 0.74 HSD17B10 (0.47) LMNAL3MBTL1THRBHPGDHSD17B10

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 disclosed