SCHEMBL2792291

SCHEMBL2792291

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
PROKR1 Q8TCW9 5/20 0.33
BTK Q06187 2/20 0.32
CFD P00746 2/20 0.32
PDE2A O00408 1/20 0.31
PDE3A Q14432 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
CPB1 P15086 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ATM Q13315 1/20 0.30
CNR2 P34972 1/20 0.30
MTOR P42345 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL2792294 1.00 DPP4 (0.33) DPP4PROKR1BTKCFDPDE2A
SCHEMBL2790607 0.93 PROKR1 (0.34) DPP4PROKR1BTKCFDPDE2A
SCHEMBL2790609 0.93 PROKR1 (0.34) DPP4PROKR1BTKCFDPDE2A
SCHEMBL2813997 0.91 PROKR1 (0.38) DPP4PROKR1BTKCFDPDE2A
SCHEMBL7891283 0.91 DPP4 (0.35) DPP4PROKR1BTKCFDALOX5AP
SCHEMBL2790135 0.90 PROKR1 (0.40) DPP4PROKR1BTKCFDCPB1
SCHEMBL7904628 0.90 PROKR1 (0.40) DPP4PROKR1BTKCFDCPB1
SCHEMBL7900932 0.90 PROKR1 (0.40) DPP4PROKR1BTKCFDCPB1
SCHEMBL7900019 0.90 PROKR1 (0.39) DPP4PROKR1BTKMAPK1
SCHEMBL2788346 0.88 DPP4 (0.35) DPP4BTKCFD

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