SCHEMBL2790288

SCHEMBL2790288

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc(C(=O)N5CC(O)C5)cc4)cc3)C2)cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
PROKR1 Q8TCW9 10/20 0.41
HRH3 Q9Y5N1 1/20 0.36
PADI4 Q9UM07 4/20 0.36
PTGER4 P35408 1/20 0.35
HSD11B1 P28845 1/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL7901834 0.90 PROKR1 (0.39) CNR2PROKR1DPP4DPP9
SCHEMBL2791389 0.89 CNR2 (0.40) CNR2PROKR1HRH3PADI4PTGER4
SCHEMBL7902499 0.87 PROKR1 (0.37) CNR2PROKR1PADI4DPP4DPP9
SCHEMBL2792434 0.87 PROKR1 (0.40) CNR2PROKR1PADI4DPP4DPP9
SCHEMBL7892716 0.87 PROKR1 (0.39) CNR2PROKR1DPP4DPP9
SCHEMBL7897490 0.86 PADI4 (0.41) CNR2PROKR1PADI4PTGER4
SCHEMBL2790135 0.86 PROKR1 (0.40) CNR2PROKR1DPP4DPP9
SCHEMBL2789838 0.86 PROKR1 (0.37) CNR2PROKR1DPP4DPP9
SCHEMBL7900932 0.86 PROKR1 (0.40) CNR2PROKR1DPP4DPP9
SCHEMBL7904628 0.86 PROKR1 (0.40) CNR2PROKR1DPP4DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed