SCHEMBL7280332

SCHEMBL7280332

CC1CC(=O)NN=C1C=Cc1ccc(-n2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 15/20 1.00
▸ PDE3A Q14432 15/20 1.00
▸ PDE4A P27815 2/20 0.65
▸ PDE4B Q07343 2/20 0.65
▸ PDE4C Q08493 2/20 0.65
▸ PDE4D Q08499 2/20 0.65
▸ PDE2A O00408 1/20 0.53
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAOB P27338 3/20 0.43
▸ CYP17A1 P05093 1/20 0.41
▸ CYP21A2 P08686 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CRBN Q96SW2 1/20 0.40

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
SCHEMBL7280326 1.00 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11062828 0.82 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11062826 0.82 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11061204 0.81 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11061207 0.81 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11015670 0.80 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11015667 0.80 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
Ci-930 SCHEMBL6052113 0.79 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11017889 0.79 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11017887 0.79 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C

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-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
US-4599332-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1986-07-08 — — US 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
Send feedback