SCHEMBL2788959

SCHEMBL2788959

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5[nH]ncc5c4)cc3)C2)cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 6/20 0.37
PIK3CD O00329 1/20 0.37
ROCK2 O75116 9/20 0.37
CLK2 P49760 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
RPS6KB1 P23443 2/20 0.37
STK17A Q9UEE5 2/20 0.37
CYP3A4 P08684 2/20 0.37
ROCK1 Q13464 5/20 0.37
MKNK2 Q9HBH9 2/20 0.37
DYRK3 O43781 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37
CNR2 P34972 1/20 0.36
CCR2 P41597 1/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KA5 O75582 1/20 0.34
PRKD3 O94806 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL7897518 0.89 GSK3B (0.40) PROKR1CNR2GSK3BDYRK1A
SCHEMBL7901834 0.88 PROKR1 (0.39) PROKR1CNR2
SCHEMBL7900932 0.86 PROKR1 (0.40) PROKR1CNR2
SCHEMBL7904628 0.86 PROKR1 (0.40) PROKR1CNR2
SCHEMBL2790135 0.86 PROKR1 (0.40) PROKR1CNR2
SCHEMBL739856 0.86 PIK3CD (0.37) PIK3CDROCK2CLK2CLK4RPS6KB1
SCHEMBL739855 0.86 PIK3CD (0.37) PIK3CDROCK2CLK2CLK4RPS6KB1
SCHEMBL2789838 0.85 PROKR1 (0.37) PROKR1CNR2
SCHEMBL7898489 0.85 DPP4 (0.38) PROKR1CNR2MAPK1
SCHEMBL7902499 0.85 PROKR1 (0.37) PROKR1CNR2

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