SCHEMBL9781429

SCHEMBL9781429

CC1CC(=O)NN=C1c1ccc2nc(-c3cccnc3)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.68
PDE3A Q14432 4/20 0.68
ABCB11 O95342 1/20 0.68
MAOA P21397 1/20 0.68
ADORA2A P29274 1/20 0.68
GPR119 Q8TDV5 7/20 0.65
F10 P00742 1/20 0.62
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
CYP11B1 P15538 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
STAT1 P42224 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LDHA P00338 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL9781427 0.92 GPR119 (0.62) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9781456 0.87 PDE3B (0.77) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10922011 0.85 PDE3B (0.66) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10771089 0.83 PDE3B (0.64) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL8264681 0.83 PDE3B (0.77) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10463603 0.82 PDE3B (0.68) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10769323 0.82 PDE3B (0.72) PDE3BPDE3AABCB11MAOAADORA2A
Hydrochloric Acid SCHEMBL11290551 0.82 PDE3B (0.76) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10770230 0.82 PDE3B (0.68) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL1649737 0.81 PDE3B (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0193013-B1 BENZIMIDAZOLYL-PYRIDAZINONES MERCK PATENT GmbH (DE) 1989-04-19 EP claimed
US-5026705-A Benzimidazolylpyridazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-06-25 US disclosed
US-4923869-A INOTROPIC, VASODILATING, AND ANTITHROMBOTIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-05-08 US disclosed
EP-0193013-B1 BENZIMIDAZOLYL-PYRIDAZINONES MERCK PATENT GmbH (DE) 1989-04-19 EP disclosed