SCHEMBL6534313

SCHEMBL6534313

O=C(Cc1ccccc1)NCC(O)CNc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.49
SLC2A1 P11166 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
Hydrochloric Acid SCHEMBL6534157 0.99 SLC2A1 (0.51) TACR3SLC2A1
SCHEMBL6534268 0.89 PDE10A (0.47) TACR3SLC2A1
SCHEMBL6534460 0.80 ACP1 (0.56) SLC2A1
SCHEMBL6534464 0.80 ACP1 (0.56) SLC2A1
Hydrochloric Acid SCHEMBL6535773 0.79 SLC2A1 (0.59) SLC2A1
Hydrochloric Acid SCHEMBL6535776 0.79 SLC2A1 (0.59) SLC2A1
SCHEMBL6534481 0.79 SLC2A1 (0.58) SLC2A1
Hydrochloric Acid SCHEMBL6534162 0.79 SLC2A1 (0.61) SLC2A1
SCHEMBL6534480 0.79 SLC2A1 (0.58) SLC2A1
Hydrochloric Acid SCHEMBL6534160 0.79 SLC2A1 (0.61) SLC2A1

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 3 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 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