SCHEMBL13680921

SCHEMBL13680921

O=CCCc1coc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
DRD3 P35462 3/20 0.48
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4B Q07343 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39

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
SCHEMBL13680927 0.84 LMNA (0.45) DRD2DRD4DRD3LMNAHDAC1
SCHEMBL12844627 0.78 DRD2 (0.51) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL5541970 0.78 DRD2 (0.55) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL5106193 0.78 DRD2 (0.51) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL2225947 0.78 DRD2 (0.51) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL13680924 0.78 SCN10A (0.44) FFAR1LMNAHDAC1HDAC8HDAC6
SCHEMBL6593764 0.78 DRD2 (0.54) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL5543626 0.75 DRD2 (0.49) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL26525864 0.75 DRD2 (0.49) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL27682910 0.75 DRD2 (0.49) DRD2DRD4DRD3FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed