SCHEMBL7898489

SCHEMBL7898489

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc(O)c(F)c4)cc3)C2)cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.38
DPP9 Q86TI2 2/20 0.38
PROKR1 Q8TCW9 7/20 0.37
CFD P00746 2/20 0.36
CNR2 P34972 1/20 0.36
RORC P51449 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL2789838 0.92 PROKR1 (0.37) DPP4DPP9PROKR1CFDCNR2
SCHEMBL7901834 0.91 PROKR1 (0.39) DPP4DPP9PROKR1CFDCNR2
SCHEMBL7902499 0.89 PROKR1 (0.37) DPP4DPP9PROKR1CFDCNR2
SCHEMBL2792434 0.88 PROKR1 (0.40) DPP4DPP9PROKR1CFDCNR2
SCHEMBL7892716 0.88 PROKR1 (0.39) DPP4DPP9PROKR1CFDCNR2
SCHEMBL7904628 0.86 PROKR1 (0.40) DPP4DPP9PROKR1CFDCNR2
SCHEMBL2790135 0.86 PROKR1 (0.40) DPP4DPP9PROKR1CFDCNR2
SCHEMBL7900932 0.86 PROKR1 (0.40) DPP4DPP9PROKR1CFDCNR2
SCHEMBL2790288 0.86 CNR2 (0.42) DPP4DPP9PROKR1CNR2
SCHEMBL2788959 0.85 PROKR1 (0.37) PROKR1CNR2MAPK1

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