SCHEMBL7901258

SCHEMBL7901258

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(NC(=O)c4cn[nH]c4)cc3)NC(=O)OC(C)(C)C)C2)c(C)c2cccc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.33
GFER P55789 1/20 0.32
ROCK2 O75116 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGB5 P18084 1/20 0.31
KLK5 Q9Y337 1/20 0.31
ACKR3 P25106 1/20 0.31
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
ATM Q13315 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
SCHEMBL7898847 0.92 MMP13 (0.35) PABPC1ITGB3ITGB1ITGAVITGA2B
SCHEMBL7900974 0.91 PABPC1 (0.32) PABPC1KLK5
SCHEMBL7897783 0.90 PABPC1 (0.33) PABPC1KLK5
SCHEMBL7900833 0.89 PABPC1 (0.34) PABPC1KLK5HRH2HRH1ATM
SCHEMBL2791534 0.89 MMP13 (0.34) PABPC1KLK5
SCHEMBL2789039 0.88 GFER (0.34) GFERACKR3
SCHEMBL2789036 0.88 GFER (0.34) GFERACKR3
SCHEMBL7899253 0.88 PABPC1 (0.32) PABPC1KLK5ACKR3
SCHEMBL2790403 0.88 PABPC1 (0.32) PABPC1GFERKLK5ATM
SCHEMBL2790406 0.88 PABPC1 (0.32) PABPC1GFERKLK5ATM

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