SCHEMBL2837000

SCHEMBL2837000

CCc1cc(C(=O)Nc2ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC(=O)N3CCCC(c4c(C)c5cccc(F)c5n4CCCOC)C3)cc2)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAMPT P43490 1/20 0.31
PRKCB P05771 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
GFER P55789 1/20 0.30
REN P00797 2/20 0.30
PROKR1 Q8TCW9 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL2835561 0.87 GFER (0.31) GPR119GFER
SCHEMBL2841338 0.87 SIRT2 (0.32) SIRT2GPR119GFERPROKR1
SCHEMBL2791712 0.86 ALDH1A1 (0.33) ALDH1A1CYP3A4LMNACYP2D6CYP2C9
SCHEMBL2791715 0.86 ALDH1A1 (0.33) ALDH1A1CYP3A4LMNACYP2D6CYP2C9
SCHEMBL2835610 0.86 GFER (0.31) GPR119GFER
SCHEMBL2792001 0.85 TRPV3 (0.33) ALDH1A1GPR119GFERRENPROKR1
SCHEMBL2790130 0.85 ALOX5AP (0.34) ALDH1A1CYP3A4GPR119GFERREN
SCHEMBL2791546 0.85 ALDH1A1 (0.36) ALDH1A1CYP3A4NAMPTPRKCBGFER
SCHEMBL2790241 0.85 ALDH1A1 (0.36) ALDH1A1CYP3A4NAMPTPRKCBGFER
SCHEMBL2790403 0.80 PABPC1 (0.32) ALDH1A1CYP3A4LMNACYP2D6CYP2C9

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