SCHEMBL2431644

SCHEMBL2431644

Cc1cc(OC(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)c(C)c2)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.61
CYP3A4 P08684 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2426792 0.89 HRH3 (0.59) HRH3CYP3A4KCNH2
SCHEMBL221896 0.85 HRH3 (0.66) HRH3CYP3A4KCNH2
SCHEMBL463905 0.85 HRH3 (0.66) HRH3CYP3A4KCNH2
SCHEMBL2426790 0.83 HRH3 (0.61) HRH3CYP3A4KCNH2
SCHEMBL2431151 0.83 HRH3 (0.61) HRH3CYP3A4KCNH2
SCHEMBL2431150 0.83 HRH3 (0.62) HRH3CYP3A4KCNH2
SCHEMBL1730489 0.82 HRH3 (0.69) HRH3CYP3A4KCNH2
SCHEMBL2428961 0.81 HRH3 (0.62) HRH3CYP3A4KCNH2
Trifluoroacetic Acid SCHEMBL222646 0.80 HRH3 (0.60) HRH3CYP3A4KCNH2
SCHEMBL1728415 0.79 HRH3 (0.66) HRH3CYP3A4KCNH2

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