SCHEMBL6534262

SCHEMBL6534262

COc1ccc(-c2cc(NCCO)c3ccc(C)cc3n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 16/20 0.57
TACR3 P29371 1/20 0.53

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 SCHEMBL6534220 0.99 ACP1 (0.56) ACP1TACR3
SCHEMBL17372677 0.93 TACR3 (0.58) ACP1TACR3
Hydrochloric Acid SCHEMBL6534337 0.92 TACR3 (0.57) ACP1TACR3
SCHEMBL6534482 0.92 TACR3 (0.62) ACP1TACR3
Hydrochloric Acid SCHEMBL6534533 0.91 TACR3 (0.61) ACP1TACR3
SCHEMBL6534240 0.90 PDE10A (0.58) ACP1
Hydrochloric Acid SCHEMBL6534317 0.89 PDE10A (0.57) ACP1
SCHEMBL17372564 0.85 ACP1 (0.62) ACP1TACR3
SCHEMBL17372650 0.85 TACR3 (0.73) ACP1TACR3
Hydrochloric Acid SCHEMBL6534236 0.85 ACP1 (0.75) 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