SCHEMBL2431150

SCHEMBL2431150

Cc1cc(NC(=O)Oc2cn[nH]c2)ccc1N1CCC(N2CCCC2C)C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.62
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
SCHEMBL222856 0.87 HRH3 (0.64) HRH3CYP3A4KCNH2
SCHEMBL2425451 0.87 HRH3 (0.61) HRH3CYP3A4KCNH2
SCHEMBL2428649 0.83 HRH3 (0.61) HRH3CYP3A4KCNH2
SCHEMBL2431644 0.83 HRH3 (0.61) HRH3CYP3A4KCNH2
SCHEMBL1730489 0.82 HRH3 (0.69) HRH3CYP3A4KCNH2
Trifluoroacetic Acid SCHEMBL223666 0.82 HRH3 (0.59) HRH3KCNH2
SCHEMBL2428961 0.81 HRH3 (0.62) HRH3CYP3A4KCNH2
SCHEMBL1730716 0.79 HRH3 (0.79) HRH3CYP3A4
SCHEMBL1728415 0.79 HRH3 (0.66) HRH3CYP3A4KCNH2
SCHEMBL220118 0.79 HRH3 (0.72) 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