SCHEMBL5598306

SCHEMBL5598306

CCCCCCC(C)N1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.73
KCNH2 Q12809 1/20 0.51
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCR3 P51677 1/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5208361 0.85 HRH3 (0.69) HRH3
SCHEMBL7196914 0.85 HRH3 (0.61) HRH3GAASMN1; SMN2
SCHEMBL5202473 0.85 HRH3 (1.00) HRH3GAASMN1; SMN2CCR3ALDH1A1
SCHEMBL7179046 0.83 HRH3 (0.62) HRH3KCNH2GAASMN1; SMN2
SCHEMBL5202813 0.83 HRH3 (0.71) HRH3KCNH2SMN1; SMN2
SCHEMBL5598262 0.82 HRH3 (0.74) HRH3KCNH2GAASMN1; SMN2CCR3
SCHEMBL5202705 0.76 HRH3 (1.00) HRH3GAASMN1; SMN2
SCHEMBL13463052 0.74 HRH3 (0.70) HRH3GAASMN1; SMN2
Hydrochloric Acid SCHEMBL9013903 0.73 SMN1; SMN2 (0.58) HRH3GAASMN1; SMN2
SCHEMBL14159067 0.72 HRH3 (0.70) HRH3GAASMN1; SMN2ALDH1A1

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
US-7241778-B2 Non-imidazole aryloxypiperidines ORTHO MCNEIL PHARMACEUTICAL, INC (US) 2007-07-10 US claimed