SCHEMBL2849356

SCHEMBL2849356

CCCS(=O)(=O)NCc1ccc(N2CCN(C3CCCC3)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.40
GPR119 Q8TDV5 8/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 6/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CXCR3 P49682 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 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
SCHEMBL2831874 0.92 KDM4E (0.41) KDM4EGAAHRH3KMT2AMEN1
SCHEMBL2825670 0.85 ALDH1A1 (0.45) KDM4EHRH3KMT2AMEN1CXCR3
SCHEMBL2829721 0.84 GAA (0.52) GPR119KDM4EGAAHRH3HSD17B10
SCHEMBL4951044 0.84 SLC6A9 (0.42) SLC6A9KDM4EHRH3KMT2AMEN1
SCHEMBL2824631 0.84 L3MBTL1 (0.48) KDM4EGAAHRH3KMT2AMEN1
SCHEMBL2827890 0.84 HRH3 (0.39) KDM4EGAAHRH3KMT2AMEN1
SCHEMBL2829310 0.81 ALDH1A1 (0.51) KDM4EHRH3KMT2AMEN1HSD17B10
SCHEMBL2825973 0.79 ALDH1A1 (0.48) GPR119KMT2AMEN1HSD17B10CXCR3
SCHEMBL2828081 0.79 TP53 (0.46) GPR119HRH3HSD17B10CXCR3ALDH1A1
SCHEMBL2826534 0.79 HRH3 (0.46) KDM4EHRH3CXCR3ALDH1A1

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-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed