SCHEMBL10651088

SCHEMBL10651088

Cn1c(C2=NNC(=O)CC2)cnc1-c1ccccc1

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
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HPGDS O60760 1/20 0.49
▸ PDE2A O00408 3/20 0.44
▸ AXL P30530 1/20 0.44
▸ PDE4B Q07343 3/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ LDLR P01130 1/20 0.40
▸ PCSK9 Q8NBP7 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
SCHEMBL2798028 0.75 SMN1; SMN2 (1.00) PDE3BPDE3ASMN1; SMN2PDE2AAXL
SCHEMBL10651798 0.74 PDE3B (1.00) PDE3BPDE3ASMN1; SMN2PDE2AAXL
SCHEMBL7303341 0.73 PDE3B (0.72) PDE3BPDE3ASMN1; SMN2PDE2AAXL
SCHEMBL822807 0.73 HPGDS (0.77) PDE3BPDE3AHPGDSLMNAMAPT
SCHEMBL10655088 0.70 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2HPGDSLMNA
SCHEMBL27216943 0.68 HPGDS (0.54) PDE3BPDE3AHPGDSMAPTLDLR
SCHEMBL10651516 0.68 CYP1A2 (0.55) PDE3BPDE3AHPGDSPDE4BPDE4A
SCHEMBL10655098 0.68 PDE3B (0.51) PDE3BPDE3AHPGDSMAPTLDLR
SCHEMBL10655094 0.68 PDE3B (0.51) PDE3BPDE3ASMN1; SMN2HPGDSLMNA
SCHEMBL11627503 0.67 SMN1; SMN2 (0.65) PDE3BPDE3ASMN1; SMN2PDE4BPDE4A

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-0125749-B1 IMIDAZOLYL-PYRIDAZINONES WARNER-LAMBERT COMPANY (US) 1988-10-05 — — EP disclosed
US-4521416-A 4,5-Dihydro-6-[(substituted)-1H-imidazol-4-yl or 5-yl]-3(2H)-pyridazinones and 6-[(substituted)-1H-imidazol-4-yl or 5-yl]-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1985-06-04 — — US disclosed
EP-0125749-A2 Imidazolyl-pyridazinones WARNER-LAMBERT COMPANY (US) 1984-11-21 — — EP disclosed
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