SCHEMBL7315150

SCHEMBL7315150

CCCC(C)CNc1ccc(C2=NNC(=O)CC2C)cc1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
GALR3 O60755 2/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
PDE3B Q13370 16/20 0.48
PDE3A Q14432 16/20 0.48
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SLFN12 Q8IYM2 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7314208 0.85 MAPT (0.69) MAPTGALR3THRBSMN1; SMN2PDE3B
SCHEMBL9781457 0.85 MAPT (0.58) MAPTGALR3THRBSMN1; SMN2PDE3B
SCHEMBL7315143 0.82 PDE3B (0.54) MAPTGALR3THRBSMN1; SMN2PDE3B
SCHEMBL10736876 0.81 MAPT (0.55) MAPTGALR3THRBSMN1; SMN2PDE3B
SCHEMBL7276856 0.81 GALR3 (0.59) MAPTGALR3THRBSMN1; SMN2PDE3B
SCHEMBL10738851 0.80 GALR3 (0.58) MAPTGALR3THRBSMN1; SMN2PDE3B
SCHEMBL9781523 0.80 GALR3 (0.62) MAPTGALR3THRBSMN1; SMN2PDE3B
SCHEMBL10736918 0.80 GALR3 (0.72) MAPTGALR3THRBSMN1; SMN2PDE3B
SCHEMBL7317456 0.79 PDE3B (0.60) MAPTGALR3THRBSMN1; SMN2PDE3B
SCHEMBL10735209 0.78 MAPT (0.54) MAPTGALR3THRBSMN1; SMN2PDE3B

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-4361563-A CARDIOTONIC, ANTITHROMBOTIC DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-11-30 US disclosed
EP-0008391-A1 Benzimidazoles, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1980-03-05 EP disclosed