SCHEMBL7712293

SCHEMBL7712293

CC1CC(=O)NN=C1c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.61
PDE3A Q14432 11/20 0.61
ABCB11 O95342 1/20 0.61
MAOA P21397 1/20 0.61
ADORA2A P29274 1/20 0.61
F10 P00742 1/20 0.53
GPR119 Q8TDV5 6/20 0.49
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPT P10636 2/20 0.45
GALR3 O60755 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLFN12 Q8IYM2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 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
SCHEMBL7714090 0.92 PDE3B (0.73) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL8264680 0.88 PDE3B (0.64) PDE3BPDE3AABCB11MAOAADORA2A
Hydrochloric Acid SCHEMBL7322526 0.87 PDE3B (0.63) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9781454 0.86 PDE3B (0.64) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10769306 0.85 PDE3B (0.60) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL1997246 0.84 PDE3B (0.81) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL27623 0.84 PDE3B (0.84) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL15617988 0.84 PDE3B (0.84) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL2466855 0.84 PDE3B (0.84) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL29386190 0.84 PDE3B (0.84) PDE3BPDE3AABCB11MAOAADORA2A

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-2011124638-A1 PIMOBENDAN MANUFACTURING PROCESS NOVARTIS AG (CH) 2011-10-13 WO disclosed