SCHEMBL2790247

SCHEMBL2790247

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(NC(=O)c4ccn(C)n4)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.35
MMP13 P45452 2/20 0.34
DPP4 P27487 5/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CFD P00746 2/20 0.32
BACE1 P56817 4/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ROCK1 Q13464 1/20 0.31
GFER P55789 1/20 0.31
ATM Q13315 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
SCHEMBL7894446 1.00 PROKR1 (0.35) PROKR1MMP13DPP4KMT2AMEN1
SCHEMBL2790244 1.00 PROKR1 (0.35) PROKR1MMP13DPP4KMT2AMEN1
SCHEMBL2790204 0.90 DPP4 (0.32) PROKR1DPP4KMT2ACFDALDH1A1
SCHEMBL2790207 0.90 DPP4 (0.32) PROKR1DPP4KMT2ACFDALDH1A1
SCHEMBL2813695 0.90 PROKR1 (0.43) PROKR1MMP13DPP4KMT2AMEN1
SCHEMBL2787940 0.90 DPP4 (0.33) PROKR1DPP4KMT2ACFDALDH1A1
SCHEMBL7893421 0.90 ACKR3 (0.33) PROKR1DPP4KMT2ACFDALDH1A1
SCHEMBL2787942 0.90 DPP4 (0.33) PROKR1DPP4KMT2ACFDALDH1A1
SCHEMBL7900593 0.89 PROKR1 (0.35) PROKR1MMP13DPP4KMT2ANPC1
SCHEMBL2788008 0.88 DPP4 (0.33) PROKR1DPP4CFDBACE1MAPK1

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