SCHEMBL3831386

SCHEMBL3831386

CC(CBr)CN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 2/20 0.38
ATM Q13315 2/20 0.38
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
CHRM2 P08172 2/20 0.36
ADRA2B P18089 2/20 0.36
DRD3 P35462 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRA2C P18825 1/20 0.34

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
SCHEMBL9407486 0.85 KMT2A (0.55) KMT2AMEN1MAPTATMANPEP
SCHEMBL14243330 0.78 MEN1 (0.48) KMT2AMEN1MAPTATMANPEP
SCHEMBL22605258 0.78 MEN1 (0.48) KMT2AMEN1MAPTATMANPEP
SCHEMBL14228070 0.78 MEN1 (0.48) KMT2AMEN1MAPTATMANPEP
SCHEMBL24059757 0.76 MAPT (0.54) KMT2AMEN1MAPTATMANPEP
SCHEMBL9208437 0.76 MAPT (0.54) KMT2AMEN1MAPTATMANPEP
SCHEMBL5586143 0.76 KMT2A (0.46) KMT2AMEN1MAPTATMANPEP
SCHEMBL6450923 0.76 KMT2A (0.46) KMT2AMEN1MAPTATMANPEP
SCHEMBL7045601 0.76 KMT2A (0.46) KMT2AMEN1MAPTATMANPEP
SCHEMBL6442177 0.76 KMT2A (0.46) KMT2AMEN1MAPTATMANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102215-A1 4,5,6,7-TETRAHYDRO-THIENO [2,3-C]PYRIDINES AS H3 MODULATORS F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
EP-2102214-A1 4, 5, 6, 7-TETRAHYDRO-THIENO [3, 2-C] PYRIDINE DERIVATIVES AS H3 MODULATORS F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008068173-A9 4, 5, 6, 7-TETRAHYDRO-THIENO [3, 2-C] PYRIDINE DERIVATIVES AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2009-06-25 WO disclosed
WO-2008068174-A9 4,5,6,7-TETRAHYDRO-THIENO [2,3-C] PYRIDINES AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2009-06-18 WO disclosed
WO-2008068174-A1 4,5,6,7-TETRAHYDRO-THIENO [2,3-C] PYRIDINES AS H3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
WO-2008068173-A1 4, 5, 6, 7-TETRAHYDRO-THIENO [3, 2-C] PYRIDINE DERIVATIVES AS H3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed