SCHEMBL8809343

SCHEMBL8809343

O=C1NC(=O)C(Cc2cccc3c2ccn3CCN2CCCC2)S1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
PPARG P37231 4/20 0.45
FFAR1 O14842 4/20 0.45
CNR2 P34972 4/20 0.40
CNR1 P21554 2/20 0.39
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.36
CA2 P00918 1/20 0.35
HTR6 P50406 2/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX7 Q99572 1/20 0.34
PPARA Q07869 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
SCHEMBL8811224 0.84 PPARG (0.47) PPARGFFAR1TSHRMAPTCA2
SCHEMBL8685774 0.82 FFAR1 (0.50) PPARGFFAR1MAPTCA2HTR6
SCHEMBL8685815 0.81 FFAR1 (0.45) PPARGFFAR1CNR2CNR1CA2
SCHEMBL8685077 0.81 PPARG (0.42) HRH3PPARGFFAR1CNR1TSHR
SCHEMBL8810162 0.80 PPARG (0.44) PPARGFFAR1MAPTCA2KCNH2
SCHEMBL8810514 0.80 PPARG (0.46) PPARGFFAR1CNR2CNR1MAPT
SCHEMBL8809561 0.80 FFAR1 (0.48) HRH3PPARGFFAR1MAPTCA2
SCHEMBL8685380 0.79 CA2 (0.43) HRH3PPARGFFAR1MAPTCA2
SCHEMBL8810551 0.79 PPARG (0.48) HRH3PPARGFFAR1MAPTHTR6
SCHEMBL8685830 0.79 PPARG (0.47) PPARGFFAR1MAPTCA2HTR6

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
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed