SCHEMBL1728136

SCHEMBL1728136

CC1CCCN1C1CCN(c2ccc(NC(=O)ON3CCN(c4ccccc4)CC3)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.74
KCNH2 Q12809 2/20 0.49
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1729463 0.90 HRH3 (0.73) HRH3KCNH2CYP3A4
SCHEMBL1730366 0.90 HRH3 (0.74) HRH3KCNH2CYP3A4
SCHEMBL1728321 0.89 HRH3 (0.65) HRH3KCNH2CYP3A4
SCHEMBL1730724 0.89 HRH3 (0.77) HRH3KCNH2CYP3A4
SCHEMBL1730709 0.85 HRH3 (1.00) HRH3KCNH2
SCHEMBL1730725 0.81 HRH3 (0.73) HRH3KCNH2CYP3A4
Cyclopropane SCHEMBL2428838 0.81 HRH3 (0.79) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL1729736 0.80 HRH3 (0.89) HRH3KCNH2
SCHEMBL2422485 0.79 HRH3 (0.73) HRH3KCNH2GAA
SCHEMBL2427819 0.78 HRH3 (0.65) 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-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP claimed