SCHEMBL5339372

SCHEMBL5339372

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.71
HCRTR1 O43613 1/20 0.62
HCRTR2 O43614 1/20 0.62
CPT1A P50416 5/20 0.61
CPT1B Q92523 3/20 0.61
CPT2 P23786 3/20 0.61

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
SCHEMBL5308387 0.90 GRM5 (0.70) GRM5HCRTR1HCRTR2CPT1ACPT1B
SCHEMBL5310239 0.81 GRM5 (1.00) GRM5
SCHEMBL5328028 0.81 GRM5 (1.00) GRM5
SCHEMBL5329277 0.81 GRM5 (0.74) GRM5HCRTR1HCRTR2
SCHEMBL5329269 0.80 GRM5 (1.00) GRM5
SCHEMBL5311582 0.80 GRM5 (0.77) GRM5HCRTR1HCRTR2
SCHEMBL5336832 0.80 GRM5 (0.73) GRM5HCRTR1HCRTR2
SCHEMBL5332345 0.80 GRM5 (0.71) GRM5HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL5326416 0.80 GRM5 (0.98) GRM5
SCHEMBL2722549 0.77 GRM5 (0.73) 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 2 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