SCHEMBL2787940

SCHEMBL2787940

COCCCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(NC(=O)c4c[nH]cn4)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.33
CFD P00746 2/20 0.32
PROKR1 Q8TCW9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
GFER P55789 1/20 0.30
KCNH2 Q12809 1/20 0.30
BTK Q06187 1/20 0.30
POLB P06746 2/20 0.30
NMT2 O60551 1/20 0.30
NMT1 P30419 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
SCHEMBL2787942 1.00 DPP4 (0.33) DPP4CFDPROKR1ALDH1A1TSHR
SCHEMBL2790207 0.91 DPP4 (0.32) DPP4CFDPROKR1ALDH1A1TSHR
SCHEMBL2790204 0.91 DPP4 (0.32) DPP4CFDPROKR1ALDH1A1TSHR
SCHEMBL7893421 0.90 ACKR3 (0.33) DPP4CFDPROKR1ALDH1A1TSHR
SCHEMBL2790244 0.90 PROKR1 (0.35) DPP4CFDPROKR1ALDH1A1TSHR
SCHEMBL7894446 0.90 PROKR1 (0.35) DPP4CFDPROKR1ALDH1A1TSHR
SCHEMBL2789039 0.90 GFER (0.34) DPP4CFDPROKR1ALDH1A1TSHR
SCHEMBL2789036 0.90 GFER (0.34) DPP4CFDPROKR1ALDH1A1TSHR
SCHEMBL2790247 0.90 PROKR1 (0.35) DPP4CFDPROKR1ALDH1A1TSHR
SCHEMBL7900974 0.89 PABPC1 (0.32)

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