SCHEMBL742219

SCHEMBL742219

CC(C)(C)OC(=O)N1CCC[C@@H](c2nc3cccc(Cl)c3[nH]2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.52
PARP1 P09874 1/20 0.44
STS P08842 1/20 0.43
PRMT5 O14744 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
HSD11B1 P28845 2/20 0.42
USP30 Q70CQ3 1/20 0.41
CHEK2 O96017 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41
GRIN2B Q13224 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX7 Q99572 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL742218 1.00 HPGDS (0.52) HPGDSPARP1STSPRMT5JAK2
SCHEMBL762497 0.84 PARP1 (0.52) HPGDSPARP1PRMT5JAK2JAK1
SCHEMBL762565 0.83 HPGDS (0.57) HPGDSPARP1PRMT5KDM4E
SCHEMBL19408169 0.83 HPGDS (0.57) HPGDSPARP1PRMT5KDM4E
SCHEMBL739188 0.83 HPGDS (0.57) HPGDSPARP1PRMT5KDM4E
SCHEMBL25363420 0.81 HPGDS (0.57) HPGDSPARP1PRMT5JAK2JAK1
SCHEMBL10292467 0.81 HPGDS (0.50) HPGDSPARP1PRMT5JAK2JAK1
SCHEMBL30496093 0.81 HPGDS (0.57) HPGDSPARP1PRMT5JAK2JAK1
SCHEMBL7892876 0.79 STS (0.46) HPGDSPARP1STSJAK2JAK1
SCHEMBL743450 0.77 PTGS1 (0.57) HPGDSPARP1PRMT5JAK2JAK1

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed