SCHEMBL5202750

SCHEMBL5202750

CC(=O)Nc1ccc(OC2CCN(C(C)C)C(I)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
ACACB O00763 9/20 0.43
POLB P06746 1/20 0.43
ADRB2 P07550 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 3/20 0.42
SLC9A3 P48764 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5207643 0.80 HRH3 (0.66) HRH3
SCHEMBL16254562 0.76 L3MBTL1 (0.53) HRH3POLBADRB2MAPTSMN1; SMN2
SCHEMBL5210144 0.73 HRH3 (0.68) HRH3ADRB2SMN1; SMN2MEN1KMT2A
SCHEMBL5209690 0.72 HRH3 (0.67) HRH3
SCHEMBL30528111 0.72 SLC9A3 (0.54) HRH3MAPTSMN1; SMN2SLC9A3MEN1
SCHEMBL22446325 0.71 NAMPT (0.49) HRH3POLBADRB2MAPTSMN1; SMN2
SCHEMBL3532274 0.69 NAMPT (0.49) ACACBMAPTNAMPTSLC9A3MEN1
SCHEMBL30441002 0.69 RORC (0.52) ACACBPOLBADRB2MAPTSMN1; SMN2
SCHEMBL943416 0.69 KCNH2 (0.52) POLBADRB2MAPTSMN1; SMN2NAMPT
SCHEMBL22173978 0.68 NAMPT (0.47) HRH3POLBADRB2MAPTSMN1; SMN2

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
EP-1311482-B1 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP claimed