SCHEMBL4698566

SCHEMBL4698566

CCOCCN1CCN(c2cccc(-n3c(CCN(C)C)nc4cc(C(=O)O)ccc43)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.42
THRB P10828 1/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 1/20 0.39
DRD3 P35462 1/20 0.37
RXRA P19793 1/20 0.37
PPARG P37231 1/20 0.37
NR1H3 Q13133 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
PTGER4 P35408 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
TTR P02766 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL4703868 0.92 THRB (0.44) HCAR3THRBHPGDHSD17B10DRD3
SCHEMBL4702408 0.90 THRB (0.44) HCAR3THRBHPGDHSD17B10DRD3
SCHEMBL5812811 0.86 THRB (0.46) HCAR3THRBHPGDHSD17B10RXRA
SCHEMBL4703168 0.84 THRB (0.48) HCAR3THRBHPGDHSD17B10DRD3
SCHEMBL4698571 0.84 THRB (0.41) THRBHPGDHSD17B10LMNAL3MBTL1
SCHEMBL4703390 0.82 THRB (0.46) HCAR3THRBHPGDHSD17B10DRD3
SCHEMBL4703871 0.82 THRB (0.44) THRBHPGDHSD17B10LMNAL3MBTL1
SCHEMBL5779164 0.82 CRBN (0.45) THRBHSD17B10DRD3PTGER4MAPT
SCHEMBL5781185 0.81 THRB (0.48) HCAR3THRBHPGDHSD17B10PTGER4
SCHEMBL5779552 0.80 HPGD (0.44) THRBHPGDHSD17B10LMNAMAPT

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-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP claimed