SCHEMBL9781454

SCHEMBL9781454

CC1CC(=O)NN=C1c1ccc2[nH]c(-c3ccncc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.64
PDE3A Q14432 12/20 0.64
ABCB11 O95342 1/20 0.64
MAOA P21397 1/20 0.64
ADORA2A P29274 1/20 0.64
F10 P00742 1/20 0.56
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
GPR119 Q8TDV5 7/20 0.48

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
SCHEMBL9781456 0.91 PDE3B (0.77) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL8264680 0.89 PDE3B (0.64) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9781469 0.88 GPR119 (0.52) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10769306 0.88 PDE3B (0.60) PDE3BPDE3AABCB11MAOAADORA2A
Hydrochloric Acid SCHEMBL7322526 0.88 PDE3B (0.63) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9781427 0.87 GPR119 (0.62) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10770212 0.87 PDE3B (0.57) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL27623 0.87 PDE3B (0.84) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL15617988 0.87 PDE3B (0.84) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL29386190 0.87 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 6 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-A2 Benzimidazolyl-pyridazinones MERCK PATENT GmbH (DE) 1986-09-03 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-0240026-A1 Heterocyclically substituted benzimidazoles, method for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1987-10-07 EP disclosed