SCHEMBL9960549

SCHEMBL9960549

Cc1cncc(CNC23CCCC(NC(=O)c4ccccn4)(CC2)C3)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.59
FPR2 P25090 8/20 0.59
HTT P42858 1/20 0.41

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
SCHEMBL9960554 0.85 GRM5 (0.65) GRM5FPR2
SCHEMBL10152388 0.80 GRM5 (0.79) GRM5FPR2
SCHEMBL11025462 0.79 GRM5 (0.71) GRM5FPR2
SCHEMBL11027838 0.79 GRM5 (0.75) GRM5FPR2
SCHEMBL11942879 0.79 GRM5 (0.78) GRM5FPR2
SCHEMBL10151947 0.79 GRM5 (0.78) GRM5FPR2
SCHEMBL10152387 0.79 GRM5 (0.78) GRM5FPR2
SCHEMBL11031816 0.77 GRM5 (0.75) GRM5FPR2HTT
SCHEMBL11942910 0.77 GRM5 (0.72) GRM5FPR2HTT
SCHEMBL11030627 0.77 GRM5 (0.72) GRM5FPR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654422-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2013-10-30 EP disclosed
WO-2012088365-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-06-28 WO disclosed