SCHEMBL10460685

SCHEMBL10460685

CC1CC(=O)NN=C1c1ccc2nc(-c3ccsc3)[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.70
PDE3A Q14432 7/20 0.70
ABCB11 O95342 1/20 0.70
MAOA P21397 1/20 0.70
ADORA2A P29274 1/20 0.70
F10 P00742 2/20 0.66
GPR119 Q8TDV5 10/20 0.64
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 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
Hydrochloric Acid SCHEMBL10463324 0.99 PDE3B (0.68) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10460683 0.92 GPR119 (0.62) PDE3BPDE3AABCB11MAOAADORA2A
Hydrochloric Acid SCHEMBL10463323 0.91 GPR119 (0.61) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9781456 0.86 PDE3B (0.77) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10769323 0.85 PDE3B (0.72) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL8264681 0.84 PDE3B (0.77) PDE3BPDE3AABCB11MAOAADORA2A
Hydrochloric Acid SCHEMBL11290551 0.83 PDE3B (0.76) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10770230 0.82 PDE3B (0.68) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL1649737 0.82 PDE3B (1.00) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7714090 0.81 PDE3B (0.73) 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
US-4923869-A INOTROPIC, VASODILATING, AND ANTITHROMBOTIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-05-08 US claimed
EP-0193013-B1 BENZIMIDAZOLYL-PYRIDAZINONES MERCK PATENT GmbH (DE) 1989-04-19 EP claimed
EP-0193013-B1 BENZIMIDAZOLYL-PYRIDAZINONES MERCK PATENT GmbH (DE) 1989-04-19 EP disclosed
EP-0196005-A1 Pyridazinones, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1986-10-01 EP disclosed