SCHEMBL7207235

SCHEMBL7207235

CC(C)(C)OC[C@H](O)C(=O)N1CC=C(c2c(F)cc(N3C(=O)OCC3COc3ccon3)cc2F)CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
CCNT1 O60563 2/20 0.30
CDK9 P50750 2/20 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
SCHEMBL5827034 0.85 MAOA (0.33) BTKTRPV1
SCHEMBL7079336 0.76 MAOA (0.32) BTK
SCHEMBL7085167 0.75 F10 (0.36) BTKCCNT1CDK9
SCHEMBL7085165 0.75 F10 (0.36) BTKCCNT1CDK9
Posizolid SCHEMBL3039615 0.75 MAOA (0.34) BTKTRPV1
Posizolid SCHEMBL374786 0.75 MAOA (0.34) BTKTRPV1
SCHEMBL7081128 0.75 MAOA (0.34)
Posizolid SCHEMBL7079325 0.75 MAOA (0.34) BTKTRPV1
SCHEMBL7081127 0.75 MAOA (0.34)
Posizolid SCHEMBL14286008 0.75 MAOA (0.34) BTKTRPV1

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
JP-2003515539-A 2003-05-07 JP claimed
EP-1237895-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS AstraZeneca AB (SE) 2002-09-11 EP claimed
WO-2001040236-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS ASTRAZENECA AB (SE) 2001-06-07 WO claimed