SCHEMBL6534526

SCHEMBL6534526

COc1ccc(-c2cc(NC[C@H](C)O)c3ccccc3n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 12/20 0.69

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
Hydrochloric Acid SCHEMBL6534563 0.99 ACP1 (0.68) ACP1
SCHEMBL17372652 0.90 TACR3 (0.70) ACP1
SCHEMBL21568466 0.90 TACR3 (0.70) ACP1
Hydrochloric Acid SCHEMBL6535484 0.89 TACR3 (0.69) ACP1
Hydrochloric Acid SCHEMBL6535480 0.89 TACR3 (0.69) ACP1
Hydrochloric Acid SCHEMBL6534260 0.88 SLC2A1 (0.63)
Hydrochloric Acid SCHEMBL6534255 0.88 SLC2A1 (0.63)
SCHEMBL6534316 0.88 ACP1 (0.65) ACP1
SCHEMBL6534312 0.88 ACP1 (0.65) ACP1
Hydrochloric Acid SCHEMBL6534652 0.88 ACP1 (0.65) ACP1

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