SCHEMBL6534377

SCHEMBL6534377

COc1ccc2c(NC[C@@H](O)CN)cc(-c3ccc(C)cc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.53
ACP1 P24666 6/20 0.48
SYK P43405 1/20 0.44

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
SCHEMBL6534374 1.00 TACR3 (0.53) TACR3ACP1SYK
Hydrochloric Acid SCHEMBL6534588 0.99 TACR3 (0.53) TACR3ACP1SYK
Hydrochloric Acid SCHEMBL6534586 0.99 TACR3 (0.53) TACR3ACP1SYK
SCHEMBL6534306 0.95 TACR3 (0.56) TACR3ACP1SYK
SCHEMBL6534314 0.95 TACR3 (0.56) TACR3ACP1SYK
Hydrochloric Acid SCHEMBL6534629 0.94 TACR3 (0.55) TACR3ACP1SYK
Hydrochloric Acid SCHEMBL6534632 0.94 TACR3 (0.55) TACR3ACP1SYK
SCHEMBL6534428 0.91 ACP1 (0.54) TACR3ACP1
SCHEMBL6534431 0.91 ACP1 (0.54) TACR3ACP1
SCHEMBL17372662 0.91 TACR3 (0.66) TACR3ACP1SYK

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