SCHEMBL2877866

SCHEMBL2877866

CCOC(=O)Nc1ccc(C[C@H](CC(=O)N2CCCC(c3c(C)c4ccccc4n3CCCOC)C2)NC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.40
FPR2 P25090 2/20 0.37
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2789132 0.90 PROKR1 (0.38) PROKR1FPR2CNR2MEN1KMT2A
SCHEMBL2790497 0.89 PROKR1 (0.45) PROKR1CNR2SMN1; SMN2HPGDNPC1
SCHEMBL2789452 0.89 PROKR1 (0.45) PROKR1CNR2SMN1; SMN2HPGDNPC1
SCHEMBL2789222 0.89 PROKR1 (0.41) PROKR1FPR2CNR2SMN1; SMN2HPGD
SCHEMBL7902566 0.88 PROKR1 (0.38) PROKR1CNR2MEN1KMT2APER2
SCHEMBL2788344 0.86 PROKR1 (0.38) PROKR1CNR2ALDH1A1MAPTTSHR
SCHEMBL2791611 0.86 PROKR1 (0.41) PROKR1FPR2CNR2SMN1; SMN2RAB9A
SCHEMBL2790512 0.85 PROKR1 (0.42) PROKR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL2814775 0.85 PROKR1 (0.37) PROKR1FPR2CNR2MEN1KMT2A
SCHEMBL2814776 0.85 PROKR1 (0.37) PROKR1FPR2CNR2MEN1KMT2A

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