SCHEMBL2789770

SCHEMBL2789770

COCCCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(-c4ccc(NCCO)nc4)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.34
CYP2D6 P10635 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
BTK Q06187 1/20 0.32
ADRA1A P35348 1/20 0.31
CFD P00746 1/20 0.31
PROKR1 Q8TCW9 2/20 0.31
REN P00797 4/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 2/20 0.31
BDKRB1 P46663 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 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
SCHEMBL2789049 1.00 DPP4 (0.34) DPP4CYP2D6DPP8DPP9DPP7
SCHEMBL2791634 1.00 DPP4 (0.34) DPP4CYP2D6DPP8DPP9DPP7
SCHEMBL2789767 1.00 DPP4 (0.34) DPP4CYP2D6DPP8DPP9DPP7
SCHEMBL2787970 0.93 DPP4 (0.34) DPP4CYP2D6DPP8DPP9DPP7
SCHEMBL2791772 0.93 BTK (0.33) DPP4CYP2D6DPP8DPP9DPP7
SCHEMBL2790275 0.92 DPP4 (0.36) DPP4CYP2D6DPP8DPP9DPP7
SCHEMBL2789278 0.92 DPP4 (0.34) DPP4CYP2D6DPP8DPP9DPP7
SCHEMBL2789391 0.92 DPP4 (0.34) DPP4CYP2D6DPP8DPP9DPP7
SCHEMBL2789275 0.92 DPP4 (0.34) DPP4CYP2D6DPP8DPP9DPP7
SCHEMBL2788040 0.92 BTK (0.33) DPP4CYP2D6DPP8DPP9DPP7

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