SCHEMBL7900593

SCHEMBL7900593

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(NC(=O)c4cnn(C)c4)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.35
MMP13 P45452 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
DPP4 P27487 4/20 0.33
ROCK1 Q13464 2/20 0.33
CFD P00746 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL2789036 0.91 GFER (0.34) PROKR1KMT2ASIRT2DPP4CFD
SCHEMBL2789039 0.91 GFER (0.34) PROKR1KMT2ASIRT2DPP4CFD
SCHEMBL2818273 0.90 PROKR1 (0.43) PROKR1MMP13NPC1RAB9AKMT2A
SCHEMBL2789223 0.89 ALDH1A1 (0.33) PROKR1NPC1RAB9AKMT2ADPP4
SCHEMBL2789221 0.89 ALDH1A1 (0.33) PROKR1NPC1RAB9AKMT2ADPP4
SCHEMBL2790247 0.89 PROKR1 (0.35) PROKR1MMP13NPC1RAB9AKMT2A
SCHEMBL7894446 0.89 PROKR1 (0.35) PROKR1MMP13NPC1RAB9AKMT2A
SCHEMBL2790244 0.89 PROKR1 (0.35) PROKR1MMP13NPC1RAB9AKMT2A
SCHEMBL2790088 0.88 DPP4 (0.32) PROKR1KMT2ADPP4CFDKCNH2
SCHEMBL2792284 0.88 DPP4 (0.32) PROKR1KMT2ADPP4CFDKCNH2

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