SCHEMBL6534394

SCHEMBL6534394

Cc1ccc(-c2cc(NCC(C)O)c3ccccc3n2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL6534389 1.00 PDE10A (0.47) PDE10A
Hydrochloric Acid SCHEMBL6534599 0.99 PDE10A (0.47) PDE10A
Hydrochloric Acid SCHEMBL6534596 0.99 PDE10A (0.47) PDE10A
Hydrochloric Acid SCHEMBL6534263 0.88 PDE10A (0.45) PDE10A
Hydrochloric Acid SCHEMBL6534266 0.88 PDE10A (0.45) PDE10A
Hydrochloric Acid SCHEMBL6534594 0.85 ACP1 (0.50)
Hydrochloric Acid SCHEMBL6534593 0.85 ACP1 (0.50)
Hydrochloric Acid SCHEMBL6534234 0.84 PDE10A (0.63) PDE10A
Hydrochloric Acid SCHEMBL6534230 0.84 PDE10A (0.63) PDE10A
Hydrochloric Acid SCHEMBL6534260 0.83 SLC2A1 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP claimed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US claimed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP claimed
EP-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US disclosed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP disclosed