SCHEMBL7290070

SCHEMBL7290070

O=C1CCC(C=Cc2ccc(-n3ccnc3)cc2)=NN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 11/20 1.00
▸ PDE3A Q14432 11/20 1.00
▸ LMNA P02545 4/20 0.62
▸ PDE4A P27815 2/20 0.62
▸ PDE4B Q07343 2/20 0.62
▸ PDE4C Q08493 2/20 0.62
▸ PDE4D Q08499 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ RAB9A P51151 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ PTGS1 P23219 2/20 0.54
▸ PTGS2 P35354 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL7297228 1.00 PDE3B (1.00) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11018276 0.81 PDE3B (0.67) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11018273 0.81 PDE3B (0.67) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11017552 0.79 PDE3B (0.65) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11017553 0.79 PDE3B (0.65) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL10972483 0.78 PTGS1 (0.68) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL11015933 0.77 SMN1; SMN2 (0.62) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL11015932 0.77 SMN1; SMN2 (0.62) PDE3BPDE3ALMNAPDE4APDE4B
Imazodan SCHEMBL148436 0.76 PDE3B (1.00) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL7280332 0.76 PDE3B (1.00) PDE3BPDE3ALMNAPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599332-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1986-07-08 — — US claimed
EP-0145450-A2 6- [2-[4-(1H-imidazol-1-yl)phenyl]-alkylene and alkylenyl]-3(2H)-pyridazinones, the 4,5-dihydro- pyridazinone derivatives thereof, and a process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1985-06-19 — — EP claimed
JP-60166679-A — — None — — JP disclosed
US-4656170-A CARDIOTONIC, HYPOTENSIVE, ANTITHROMBOTIC WARNER-LAMBERT COMPANY (US) 1987-04-07 — — US disclosed
US-4599332-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1986-07-08 — — US disclosed
US-4599332-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1986-07-08 — — US disclosed
JP-S60166679-A 4,5-DIHYDRO-6-(2-(4-(1H-IMIDAZOL-1-YL)PHENYL)-ETHENYL)-3(2H)-PYRIDAZINONES AND RELATED COMPOUNDS WARNER LAMBERT CO 1985-08-29 — — JP disclosed
EP-0150463-A1 Substituted 4.5-dihydro-6-vinyl-3(2H)-pyridazinones and 6-vinyl-3(2H)-pyridazinones and process for producing the same A. Nattermann & Cie. GmbH (DE) 1985-08-07 — — EP disclosed
EP-0145450-A2 6- [2-[4-(1H-imidazol-1-yl)phenyl]-alkylene and alkylenyl]-3(2H)-pyridazinones, the 4,5-dihydro- pyridazinone derivatives thereof, and a process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1985-06-19 — — EP disclosed
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