SCHEMBL2431258

SCHEMBL2431258

Cc1noc(C)c1OC(=O)Nc1ccc(N2CCC(N3CCCC3C)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.59
KCNH2 Q12809 2/20 0.59
CYP3A4 P08684 1/20 0.49

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
SCHEMBL2428961 0.88 HRH3 (0.62) HRH3KCNH2CYP3A4
SCHEMBL2424969 0.88 HRH3 (0.75) HRH3KCNH2CYP3A4
SCHEMBL2424351 0.88 HRH3 (0.75) HRH3KCNH2CYP3A4
SCHEMBL220132 0.84 HRH3 (0.77) HRH3KCNH2CYP3A4
SCHEMBL16551692 0.83 HRH3 (0.57) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL222512 0.79 HRH3 (0.70) HRH3KCNH2
SCHEMBL1730366 0.79 HRH3 (0.74) HRH3KCNH2CYP3A4
SCHEMBL2426792 0.79 HRH3 (0.59) HRH3KCNH2CYP3A4
Cyclopropane SCHEMBL2428838 0.78 HRH3 (0.79) HRH3KCNH2CYP3A4
SCHEMBL2425451 0.78 HRH3 (0.61) HRH3KCNH2CYP3A4

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-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP claimed