SCHEMBL7961444

SCHEMBL7961444

COc1cc(CN2CCC(Cc3ccc(F)cc3F)(C(CC(C)(C)C)O[SiH](C)C)C2=O)cc(OC)c1OC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
ACHE P22303 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.33
HRH1 P35367 1/20 0.32
PRMT5 O14744 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7956181 0.90 ALDH1A1 (0.38) ACHEHTTKDM4EALDH1A1KCNH2
SCHEMBL7956395 0.85 MEN1 (0.38) MEN1KMT2AACHEALDH1A1
SCHEMBL7961302 0.85 KDM4E (0.37) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL7961451 0.82 MEN1 (0.37) MEN1KMT2ANPC1ACHEHTT
SCHEMBL6993970 0.82 KCNH2 (0.38) ACHEHTTKDM4EALDH1A1KCNH2
SCHEMBL7947321 0.75 MEN1 (0.37) MEN1KMT2AACHEALDH1A1
SCHEMBL7961053 0.74 MEN1 (0.42) MEN1KMT2ANPC1ACHEHTT
SCHEMBL7956188 0.73 ALDH1A1 (0.38) MEN1KMT2AACHEHTTKDM4E
SCHEMBL7958676 0.73 KMT2A (0.41) MEN1KMT2AKCNH2
SCHEMBL7961447 0.73 HRH1 (0.38) MEN1KMT2ANPC1ACHEHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed