SCHEMBL8552102

SCHEMBL8552102

CCCC[Si](C)(C)OCCC1(Cc2ccc(C(F)(F)F)cc2)CCN(Cc2cc(OC)c(OC)c(OC)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
HRH1 P35367 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
HCRTR2 O43614 1/20 0.32
PPARD Q03181 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL6992818 0.87 ABCB1 (0.36) ABCB1ABCC1HRH1SMN1; SMN2LMNA
SCHEMBL8589743 0.83 LMNA (0.35) ABCB1ABCC1HRH1SMN1; SMN2LMNA
SCHEMBL6995389 0.82 KMT2A (0.39) ABCB1ABCC1SMN1; SMN2LMNAKMT2A
SCHEMBL6994509 0.82 KMT2A (0.37) ABCB1ABCC1SMN1; SMN2LMNAKMT2A
SCHEMBL7003238 0.80 TSHR (0.33) HRH1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7002664 0.79 HRH1 (0.40) HRH1SMN1; SMN2LMNAPDE4APDE4B
SCHEMBL7000714 0.78 SMN1; SMN2 (0.41) HRH1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7961305 0.77 KDM4E (0.39) HRH1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6997660 0.77 MAPK1 (0.39) HRH1KMT2AMEN1PDE4APDE4B
SCHEMBL8317975 0.77 MAPK1 (0.37) HRH1SMN1; SMN2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874843-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP disclosed
WO-1997022604-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 WO disclosed