SCHEMBL13680630

SCHEMBL13680630

Cc1csc(-c2ccc3c(c2)CC(=O)N3)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57
GRIA1 P42261 3/20 0.53
CACNG8 Q8WXS5 2/20 0.53
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
MMP12 P39900 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PGR P06401 4/20 0.47
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13680628 0.90 CRBN (0.48) PDE3BPDE3AGRIA1CACNG8MAPT
SCHEMBL16090353 0.82 MEN1 (0.59) PDE3BPDE3AGRIA1CACNG8MAPT
SCHEMBL1559008 0.78 MAPT (0.79) PDE3BPDE3AGRIA1CACNG8MAPT
SCHEMBL8480061 0.78 PDE3B (0.68) PDE3BPDE3AMAPTNPC1MMP12
SCHEMBL13028342 0.78 MAPT (0.54) PDE3BPDE3AGRIA1CACNG8MAPT
SCHEMBL15682666 0.78 MAPT (0.55) PDE3BPDE3AGRIA1CACNG8MAPT
SCHEMBL13681010 0.78 PDE3B (0.50) PDE3BPDE3AGRIA1CACNG8MAPT
SCHEMBL15668432 0.78 ALDH1A1 (0.51) PDE3BPDE3AMAPTNPC1MMP12
Hydrochloric Acid SCHEMBL5771609 0.77 MAPT (0.77) PDE3BPDE3AGRIA1CACNG8MAPT
SCHEMBL16090359 0.77 MAPT (0.53) PDE3BPDE3AGRIA1CACNG8MAPT

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