SCHEMBL2424969

SCHEMBL2424969

Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)Oc1c(C)noc1C

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.75
KCNH2 Q12809 6/20 0.75
CYP3A4 P08684 1/20 0.61

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
SCHEMBL2424351 1.00 HRH3 (0.75) HRH3KCNH2CYP3A4
SCHEMBL2431258 0.88 HRH3 (0.59) HRH3KCNH2CYP3A4
SCHEMBL16551692 0.86 HRH3 (0.57) HRH3KCNH2CYP3A4
SCHEMBL220654 0.85 HRH3 (1.00) HRH3KCNH2CYP3A4
SCHEMBL222595 0.85 HRH3 (1.00) HRH3KCNH2CYP3A4
SCHEMBL419179 0.85 HRH3 (1.00) HRH3KCNH2CYP3A4
SCHEMBL10475963 0.85 HRH3 (0.54) HRH3KCNH2CYP3A4
SCHEMBL2428961 0.83 HRH3 (0.62) HRH3KCNH2CYP3A4
SCHEMBL1730278 0.81 HRH3 (0.73) HRH3KCNH2CYP3A4
SCHEMBL1727985 0.81 HRH3 (0.73) 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