SCHEMBL6534335

SCHEMBL6534335

COc1ccc(-c2cc(NC[C@H](C)O)c3ccccc3n2)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.52
FAAH O00519 1/20 0.49

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
SCHEMBL6534557 1.00 ACP1 (0.52) ACP1FAAH
Hydrochloric Acid SCHEMBL6534277 0.99 ACP1 (0.51) ACP1FAAH
Hydrochloric Acid SCHEMBL6534283 0.99 ACP1 (0.51) ACP1FAAH
Hydrochloric Acid SCHEMBL6534346 0.89 ACP1 (0.49) ACP1
Hydrochloric Acid SCHEMBL6534344 0.89 ACP1 (0.49) ACP1
Hydrochloric Acid SCHEMBL6534594 0.88 ACP1 (0.50) ACP1
Hydrochloric Acid SCHEMBL6534593 0.88 ACP1 (0.50) ACP1
SCHEMBL6534526 0.84 ACP1 (0.69) ACP1
Hydrochloric Acid SCHEMBL6534563 0.84 ACP1 (0.68) ACP1
SCHEMBL6534394 0.83 PDE10A (0.47)

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