SCHEMBL3905516

SCHEMBL3905516

COC(C(N)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CES1 P23141 1/20 0.48
▸ KCNN4 O15554 7/20 0.48
▸ HTT P42858 1/20 0.42
▸ CYP2D6 P10635 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL340836 0.83 KCNN4 (0.52) MAPTKMT2ACES1KCNN4CYP2D6
Ammonia Solution, Strong SCHEMBL9292403 0.81 KCNN4 (0.50) MAPTKMT2ACES1KCNN4CYP2D6
SCHEMBL14062648 0.81 CES1 (0.50) MAPTKMT2ACES1KCNN4CYP2D6
Hydrochloric Acid SCHEMBL8044029 0.81 KCNN4 (0.50) MAPTKMT2ACES1KCNN4CYP2D6
SCHEMBL10693506 0.80 MAPT (0.52) MAPTKMT2ACES1KCNN4HTT
SCHEMBL1454439 0.79 CES1 (0.63) MAPTKMT2ACES1KCNN4HTT
Water SCHEMBL9292645 0.79 CES1 (0.48) MAPTKMT2ACES1KCNN4CYP2D6
SCHEMBL342555 0.79 KCNN4 (0.64) MAPTKMT2ACES1KCNN4CYP1A2
SCHEMBL28392840 0.79 CES1 (0.48) MAPTKMT2ACES1KCNN4CYP2D6
Isopropylamine SCHEMBL10335661 0.79 CYP1A2 (0.50) MAPTKMT2ACES1KCNN4CYP2D6

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-1725238-A4 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 — — EP claimed
EP-1725238-A2 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 — — EP claimed
WO-2005094251-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 — — WO claimed
EP-1725238-A4 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 — — EP disclosed
EP-1725238-A2 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 — — EP disclosed
WO-2005094251-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 — — WO disclosed
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