SCHEMBL2790607

SCHEMBL2790607

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc(N)nc4)cc3)C2)cc2cnc(OC)cc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 5/20 0.34
PIK3CD O00329 3/20 0.33
CFD P00746 2/20 0.33
DPP4 P27487 1/20 0.33
MTOR P42345 2/20 0.33
PIK3CA P42336 3/20 0.32
PDE2A O00408 2/20 0.32
PDE3A Q14432 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
BTK Q06187 1/20 0.32
GSK3B P49841 1/20 0.32
NMT2 O60551 1/20 0.31
NMT1 P30419 1/20 0.31
PDE5A O76074 1/20 0.31
PDE6A P16499 1/20 0.31

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
SCHEMBL2790609 1.00 PROKR1 (0.34) PROKR1PIK3CDCFDDPP4MTOR
SCHEMBL2791993 0.94 PROKR1 (0.34) PROKR1PIK3CDCFDDPP4MTOR
SCHEMBL2792291 0.93 DPP4 (0.33) PROKR1CFDDPP4MTORPDE2A
SCHEMBL2792294 0.93 DPP4 (0.33) PROKR1CFDDPP4MTORPDE2A
SCHEMBL2813997 0.91 PROKR1 (0.38) PROKR1CFDDPP4PDE2APDE3A
SCHEMBL7891283 0.90 DPP4 (0.35) PROKR1CFDDPP4BTK
SCHEMBL7904628 0.90 PROKR1 (0.40) PROKR1CFDDPP4BTK
SCHEMBL2790135 0.90 PROKR1 (0.40) PROKR1CFDDPP4BTK
SCHEMBL7900932 0.90 PROKR1 (0.40) PROKR1CFDDPP4BTK
SCHEMBL7900019 0.89 PROKR1 (0.39) PROKR1DPP4BTKNMT2NMT1

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