SCHEMBL5202589

SCHEMBL5202589

COc1cc(-c2cc(CN(CCO[Si](C)(C)C(C)(C)C)[C@@H](CC(C)C)C(N)=O)ccn2)cc(OC)c1OC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 10/20 0.32
LNPEP Q9UIQ6 1/20 0.32
CYP3A4 P08684 1/20 0.32
TP53 P04637 1/20 0.31
NEK2 P51955 1/20 0.31
FYN P06241 2/20 0.31
REN P00797 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL5202421 0.90 EGFR (0.33) AAK1TP53NEK2FYNREN
SCHEMBL5205418 0.89 LMNA (0.36) TP53KDM4EALDH1A1LMNAGAA
SCHEMBL5201979 0.89 LOXL2 (0.33) TP53NEK2FYNRENKDM4E
SCHEMBL5201228 0.89 LOXL2 (0.33) TP53NEK2FYNRENKDM4E
SCHEMBL5200328 0.81 HCRTR2 (0.35) TP53NEK2KDM4EALDH1A1LMNA
SCHEMBL5203311 0.71 GAA (0.43) FYNKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13813556 0.65 PTGS2 (0.53) ALDH1A1GAA
SCHEMBL4109868 0.64 FYN (0.50) FYNALDH1A1GAA
SCHEMBL4122811 0.64 LOXL2 (0.53) FYNALDH1A1GAALOXL2
SCHEMBL4120272 0.62 GAA (0.46) FYNKDM4EALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400521-B1 PIPERAZINE COMPOUNDS KOWA CO (JP) 2007-11-07 EP disclosed
EP-1400521-A1 PIPERAZINE COMPOUNDS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6432957-B1 ANTIASTHMA; ANTIALLERGENS; RHEUMATIC DISEASES; ANTIINFLAMMATORY AGENTS KOWA CO., LTD. (JP) 2002-08-13 US disclosed