SCHEMBL6472006

SCHEMBL6472006

CC(Cc1ccsc1)N=C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
OPRM1 P35372 11/20 0.37
OPRD1 P41143 8/20 0.37
OPRK1 P41145 8/20 0.37
OPRL1 P41146 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.35
KDM4A O75164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL4199701 0.80 DRD2 (0.39) MMEDRD2DRD3OPRM1OPRD1
SCHEMBL21753640 0.79 TSHR (0.35) OPRK1TAAR1
SCHEMBL5710769 0.79 TSHR (0.35) OPRK1TAAR1
SCHEMBL7571358 0.77 TAAR1 (0.44) MMEDRD2DRD3OPRM1OPRD1
SCHEMBL2729032 0.74 SLC6A2 (0.48) OPRK1TAAR1MEN1KMT2A
SCHEMBL21056125 0.74 SLC6A2 (0.48) OPRK1TAAR1MEN1KMT2A
SCHEMBL27515553 0.74 SLC6A2 (0.48) OPRK1TAAR1MEN1KMT2A
SCHEMBL680803 0.73
SCHEMBL23121590 0.73 PNMT (0.43) OPRK1TAAR1
SCHEMBL635206 0.73 PNMT (0.43) OPRK1TAAR1

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed