SCHEMBL7280840

SCHEMBL7280840

CC1CC(N2CCCCC2)C(=O)N=C1C=Cc1ccc(-n2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.54
▸ PDE3A Q14432 6/20 0.54
▸ MAOB P27338 3/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CHRNA7 P36544 1/20 0.38
▸ CYP17A1 P05093 2/20 0.38
▸ CYP21A2 P08686 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ ESR1 P03372 1/20 0.36
▸ MLLT1 Q03111 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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 0.70 PDE3B (1.00) PDE3BPDE3AMAOBPDE4APDE4B
SCHEMBL11015670 0.70 PDE3B (0.66) PDE3BPDE3AMAOBPDE4APDE4B
SCHEMBL7280332 0.70 PDE3B (1.00) PDE3BPDE3AMAOBPDE4APDE4B
SCHEMBL11015667 0.70 PDE3B (0.66) PDE3BPDE3AMAOBPDE4APDE4B
SCHEMBL2604923 0.64 CYP3A4 (0.69) PDE3BPDE3AMAOBCYP17A1CYP21A2
SCHEMBL8392726 0.64 CYP3A4 (0.69) PDE3BPDE3AMAOBCYP17A1CYP21A2
SCHEMBL138658 0.63 MAPT (0.56) CYP11B1MAPTLMNAKDM4EMEN1
SCHEMBL13126938 0.62 CYP3A4 (0.51) PDE3BPDE3AMAOBCYP17A1CYP21A2
SCHEMBL8288350 0.62 MAPT (0.60) PDE3BPDE3AMAOBMAPTLMNA
SCHEMBL209879 0.62 MAPT (0.60) PDE3BPDE3AMAOBMAPTLMNA

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 1 patent. 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 disclosed
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