SCHEMBL2789980

SCHEMBL2789980

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4cnc(N)nc4)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.35
CFD P00746 2/20 0.35
FEN1 P39748 2/20 0.34
DPP4 P27487 8/20 0.33
BTK Q06187 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP3K12 Q12852 1/20 0.32
MAPK1 P28482 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ALOX5AP P20292 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
SCHEMBL2789102 0.95 PROKR1 (0.34) PROKR1CFDFEN1DPP4BTK
SCHEMBL2790557 0.94 PROKR1 (0.35) PROKR1CFDFEN1DPP4BTK
SCHEMBL2790551 0.94 PROKR1 (0.35) PROKR1CFDFEN1DPP4BTK
SCHEMBL2789501 0.94 PROKR1 (0.35) PROKR1CFDFEN1DPP4BTK
SCHEMBL2790226 0.94 PROKR1 (0.35) PROKR1CFDFEN1DPP4BTK
SCHEMBL2789351 0.93 CFD (0.33) PROKR1CFDDPP4BTKALDH1A1
SCHEMBL2790305 0.93 CFD (0.33) PROKR1CFDDPP4BTKALDH1A1
SCHEMBL2792469 0.93 CFD (0.33) PROKR1CFDDPP4BTKALDH1A1
SCHEMBL2789348 0.93 CFD (0.33) PROKR1CFDDPP4BTKALDH1A1
SCHEMBL2791421 0.92 CFD (0.36) PROKR1CFDDPP4BTKALDH1A1

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