SCHEMBL2425451

SCHEMBL2425451

CC1CCCN1C1CCN(c2ccc(NC(=O)Oc3cn[nH]c3)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.61
KCNH2 Q12809 3/20 0.47
CYP3A4 P08684 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
SCHEMBL2428649 0.87 HRH3 (0.61) HRH3KCNH2CYP3A4
SCHEMBL2431150 0.87 HRH3 (0.62) HRH3KCNH2CYP3A4
SCHEMBL220068 0.86 HRH3 (0.69) HRH3KCNH2CYP3A4
SCHEMBL1730366 0.81 HRH3 (0.74) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL221469 0.80 HRH3 (0.62) HRH3KCNH2
SCHEMBL2426792 0.80 HRH3 (0.59) HRH3KCNH2CYP3A4
SCHEMBL1729463 0.79 HRH3 (0.73) HRH3KCNH2CYP3A4
SCHEMBL2431258 0.78 HRH3 (0.59) HRH3KCNH2CYP3A4
Cyclopropane SCHEMBL2428838 0.78 HRH3 (0.79) HRH3KCNH2CYP3A4
SCHEMBL1728136 0.77 HRH3 (0.74) 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