SCHEMBL4787002

SCHEMBL4787002

O=C(CBr)Nc1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 1/20 0.47
POLB P06746 2/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
CHRM1 P11229 1/20 0.43
HPGD P15428 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41

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
SCHEMBL15267699 0.87 KMT2A (0.60) KMT2AMEN1GAAPOLBHTT
SCHEMBL21483732 0.85 MEN1 (0.53) KMT2AMEN1GAAPOLBHTT
SCHEMBL8667875 0.84 KMT2A (0.48) KMT2AMEN1GAAPOLBHTT
SCHEMBL5362495 0.82 HDAC3 (0.60) KMT2AMEN1LMNASMN1; SMN2HDAC1
SCHEMBL4548528 0.82 TPSAB1 (0.48) KMT2AMEN1GAAPOLBHDAC6
SCHEMBL8689095 0.81 MEN1 (0.62) KMT2AMEN1GAAPOLBHTT
SCHEMBL21765683 0.81 NPC1 (0.50) KMT2AMEN1GAAPOLBLMNA
SCHEMBL13652580 0.80 GAA (0.59) KMT2AMEN1GAAPOLBHTT
SCHEMBL7937661 0.80 MEN1 (0.53) KMT2AMEN1GAAPOLBHDAC1
SCHEMBL19154569 0.80 CA1 (0.58) KMT2AMEN1GAAPOLBHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed