SCHEMBL5598262

SCHEMBL5598262

CCCN1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.74
ALDH1A1 P00352 2/20 0.61
CCR3 P51677 2/20 0.60
GAA P10253 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KCNH2 Q12809 1/20 0.55
TMEM97 Q5BJF2 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
PRMT6 Q96LA8 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL5202473 0.85 HRH3 (1.00) HRH3ALDH1A1CCR3GAASMN1; SMN2
SCHEMBL5210254 0.83 HRH3 (0.68) HRH3GAASMN1; SMN2
SCHEMBL13463052 0.82 HRH3 (0.70) HRH3GAASMN1; SMN2SIGMAR1
SCHEMBL360084 0.82 KCNH2 (0.77) ALDH1A1CCR3KCNH2TMEM97SIGMAR1
SCHEMBL7173537 0.82 HRH3 (0.61) HRH3GAASMN1; SMN2KCNH2
SCHEMBL5598306 0.82 HRH3 (0.73) HRH3ALDH1A1CCR3GAASMN1; SMN2
SCHEMBL20328148 0.81 CARM1 (0.70) HRH3GAASMN1; SMN2PRMT6
SCHEMBL5202949 0.81 HRH3 (0.70) HRH3GAASMN1; SMN2KCNH2
SCHEMBL7179085 0.80 HRH3 (0.62) HRH3GAASMN1; SMN2KCNH2PRMT6
SCHEMBL8393625 0.80 HRH3 (0.71) HRH3ALDH1A1GAASMN1; SMN2SIGMAR1

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