SCHEMBL3347247

SCHEMBL3347247

CC(C)(C)OC(=O)N1CCN(C2=Nc3cc(C(=O)O)ccc3Oc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.44
MEN1 O00255 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM1 P11229 1/20 0.44
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
HTR2C P28335 5/20 0.44

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
SCHEMBL5479943 0.87 HRH4 (0.66) HRH4DRD2DRD4DRD3MEN1
SCHEMBL4581174 0.84 HRH4 (0.68) HRH4DRD2DRD4DRD3MEN1
SCHEMBL23242491 0.80 HRH4 (0.47) HRH4DRD2DRD4DRD3MEN1
SCHEMBL23242530 0.78 HRH4 (0.46) HRH4DRD2DRD4DRD3MEN1
SCHEMBL23242525 0.78 HRH4 (0.46) HRH4DRD2DRD4DRD3MEN1
SCHEMBL23242528 0.77 HTR2A (0.56) HRH4DRD2DRD4DRD3MEN1
SCHEMBL12142931 0.74 HRH4 (0.67) HRH4DRD2DRD4DRD3MEN1
SCHEMBL7904003 0.74 HRH4 (0.56) HRH4DRD2DRD4DRD3MEN1
SCHEMBL1367220 0.73 HRH4 (0.64) HRH4DRD2DRD4DRD3MEN1
SCHEMBL3229794 0.72 DRD2 (0.55) HRH4DRD2DRD4DRD3MEN1

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-2010062565-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2010-06-03 WO disclosed