SCHEMBL2633804

SCHEMBL2633804

Cc1nc([N+]2([C@@H]3CCNC3)CCC[C@@H]2C)ccc1N1CCC2(CCCCC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.34

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
SCHEMBL2633837 0.95 HRH3 (0.39) HRH3
Hydrochloric Acid SCHEMBL2637048 0.94 HRH3 (0.38) HRH3
SCHEMBL2633886 0.93 HRH3 (0.33) HRH3
SCHEMBL2633784 0.92 HRH3 (0.35) HRH3
SCHEMBL2633862 0.92 HRH3 (0.35) HRH3
SCHEMBL2633787 0.92 HRH3 (0.36) HRH3
Hydrochloric Acid SCHEMBL2633808 0.91 HRH3 (0.36) HRH3
SCHEMBL2633779 0.90 HRH3 (0.31) HRH3
SCHEMBL2633858 0.87 HRH3 (0.43) HRH3
SCHEMBL2633796 0.87 HRH3 (0.43) HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569304-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP claimed
WO-2011143148-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO claimed
EP-2569304-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
WO-2011143148-A1 SUBSTITUTED N-HETEROARYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed