SCHEMBL10729397

SCHEMBL10729397

CCc1nccn1-c1ccc(C2=NNC(=O)CC2C)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.46
▸ PDE3A Q14432 14/20 0.43
▸ PDE3B Q13370 11/20 0.43
▸ PDE4B Q07343 4/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.40
▸ PDE2A O00408 2/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ F10 P00742 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ PDE5A O76074 1/20 0.37

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
SCHEMBL10647873 0.87 PBRM1 (0.48) PBRM1PDE3APDE3BPDE4BPDE4A
SCHEMBL10730523 0.82 PBRM1 (0.46) PBRM1PDE3APDE3BPDE4BPDE4A
SCHEMBL11207365 0.81 PDE3B (0.60) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10646114 0.76 PDE3A (0.63) PBRM1PDE3APDE3BPDE4BPDE4A
SCHEMBL10646441 0.72 PBRM1 (0.49) PBRM1PDE3APDE3BPDE4BPDE4A
Fumaric Acid SCHEMBL10725290 0.70 PDE3B (0.54) PBRM1PDE3APDE3BPDE4BPDE4A
Fumaric Acid SCHEMBL10725276 0.70 PDE3B (0.54) PBRM1PDE3APDE3BPDE4BPDE4A
SCHEMBL10729410 0.69 PBRM1 (0.48) PBRM1PDE3APDE3BPDE4BPDE4A
SCHEMBL10625021 0.68 PDE3B (0.64) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10620570 0.68 PDE3B (0.63) PDE3APDE3BPDE4BPDE4APDE4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112987-B1 IMIDAZOLYLALKYLTHIENYL-TETRAHYDROPYRIDAZINES AND PROCESS FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1987-04-01 — — EP disclosed
US-4643998-A Imidazolylalkylthienyl tetrahydropyridazines and processes for their use A. NATTERMAN & CIE GMBH (DE) 1987-02-17 — — US disclosed
EP-0112987-A1 Imidazolylalkylthienyl-tetrahydropyridazines and process for their preparation A. Nattermann & Cie. GmbH (DE) 1984-07-11 — — EP disclosed
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