SCHEMBL5333014

SCHEMBL5333014

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.71
HCRTR1 O43613 2/20 0.67
HCRTR2 O43614 2/20 0.67
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
USP30 Q70CQ3 1/20 0.57

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
SCHEMBL5333005 1.00 GRM5 (0.71) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL5628484 0.97 GRM5 (0.72) GRM5HCRTR1HCRTR2
SCHEMBL14153249 0.90 GRM5 (0.60) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL19400901 0.89 GRM5 (0.59) GRM5USP30
SCHEMBL5955709 0.89 GRM5 (0.57) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL19385316 0.89 USP30 (0.60) GRM5USP30
SCHEMBL4954645 0.88 HCRTR1 (0.56) GRM5HCRTR1HCRTR2
SCHEMBL4954639 0.88 HCRTR1 (0.56) GRM5HCRTR1HCRTR2
SCHEMBL5485934 0.88 GRM5 (0.55) GRM5HCRTR1HCRTR2MAPTLMNA
SCHEMBL5329277 0.86 GRM5 (0.74) GRM5HCRTR1HCRTR2

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
WO-2007039781-A2 NEW COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2007-04-12 WO disclosed