SCHEMBL8145247

SCHEMBL8145247

C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(OCCN4CCCCC4)ccc3[C@H]1CC2

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.71
KCNH2 Q12809 3/20 0.66
STS P08842 1/20 0.61
SHBG P04278 1/20 0.58

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
SCHEMBL8144474 0.96 HRH3 (0.77) HRH3KCNH2STSSHBG
SCHEMBL8144798 0.92 HRH3 (0.63) HRH3KCNH2STSSHBG
SCHEMBL8152987 0.85 HRH3 (0.68) HRH3KCNH2STSSHBG
SCHEMBL8154128 0.83 STS (0.67) HRH3KCNH2STSSHBG
SCHEMBL5675173 0.83 STS (0.67) HRH3KCNH2STSSHBG
SCHEMBL8059548 0.83 STS (0.67) HRH3KCNH2STSSHBG
SCHEMBL14252903 0.82 STS (0.70) HRH3KCNH2STSSHBG
SCHEMBL8151812 0.82 STS (0.64) HRH3KCNH2STSSHBG
SCHEMBL5678711 0.82 STS (0.64) HRH3KCNH2STSSHBG
SCHEMBL8151594 0.82 STS (0.64) HRH3KCNH2STSSHBG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676202-B1 Use of aromatic steroids substituted in 3-position by a disubstituted aminoalkoxy chain for the manufacture of a medicament for the control of fertility, in particular male fertility HOECHST MARION ROUSSEL INC (FR) 2000-06-07 EP claimed
EP-0676202-A2 Use of aromatic steroids substituted in 3-position by a disubstituted aminoalkoxy chain for the manufacture of a medicament for the control of fertility, in particular male fertility ROUSSEL UCLAF (FR) 1995-10-11 EP claimed
EP-0676202-B1 Use of aromatic steroids substituted in 3-position by a disubstituted aminoalkoxy chain for the manufacture of a medicament for the control of fertility, in particular male fertility HOECHST MARION ROUSSEL INC (FR) 2000-06-07 EP disclosed
EP-0676202-A2 Use of aromatic steroids substituted in 3-position by a disubstituted aminoalkoxy chain for the manufacture of a medicament for the control of fertility, in particular male fertility ROUSSEL UCLAF (FR) 1995-10-11 EP disclosed