SCHEMBL3264491

SCHEMBL3264491

CC(=O)NCCOc1cccc(F)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.71
MTNR1B P49286 9/20 0.71
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 1/20 0.55
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.51
PDK2 Q15119 1/20 0.51

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
SCHEMBL31483070 0.85 MTNR1A (0.51) MTNR1AMTNR1BMAPT
SCHEMBL2187414 0.82 MTNR1A (0.49) MTNR1AMTNR1BMAPTLMNA
SCHEMBL16744389 0.82 MTNR1A (0.71) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL22816591 0.82 MTNR1A (0.71) MTNR1AMTNR1BL3MBTL1MAPTUSP2
SCHEMBL5113209 0.81 MTNR1A (0.73) MTNR1AMTNR1BL3MBTL1MAPTUSP2
SCHEMBL885015 0.80 MTNR1A (1.00) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL528393 0.79 MTNR1A (0.68) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL30756752 0.79 HTR1B (0.61) LMNAALDH1A1PDK2
SCHEMBL13272286 0.79 HTR1B (0.61) LMNAALDH1A1PDK2
SCHEMBL23067913 0.79 DRD2 (0.55) MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009138707-A9 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-01-28 WO disclosed