SCHEMBL5308387

SCHEMBL5308387

COCC(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.70
HCRTR1 O43613 2/20 0.66
HCRTR2 O43614 2/20 0.66
CPT1A P50416 8/20 0.60
CPT1B Q92523 4/20 0.60
CPT2 P23786 4/20 0.60
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 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
SCHEMBL5339372 0.90 GRM5 (0.71) GRM5HCRTR1HCRTR2CPT1ACPT1B
SCHEMBL5332089 0.85 GRM5 (0.72) GRM5HCRTR1HCRTR2CPT1ACPT1B
SCHEMBL5333014 0.84 GRM5 (0.71) GRM5HCRTR1HCRTR2LMNAMAPT
SCHEMBL5333005 0.84 GRM5 (0.71) GRM5HCRTR1HCRTR2LMNAMAPT
SCHEMBL28780313 0.82 GRM5 (0.80) GRM5HCRTR1HCRTR2
SCHEMBL5310857 0.82 GRM5 (0.94) GRM5
SCHEMBL5327585 0.82 GRM5 (0.75) GRM5HCRTR1HCRTR2
SCHEMBL5628484 0.81 GRM5 (0.72) GRM5HCRTR1HCRTR2
SCHEMBL3553226 0.81 CPT1A (0.81) CPT1ACPT1BCPT2
SCHEMBL3553232 0.81 CPT1A (0.81) CPT1ACPT1BCPT2

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