SCHEMBL7280920

SCHEMBL7280920

O=C1CCC(c2ccc(-n3cnc4ccccc43)cc2)=NN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 1.00
▸ PDE3A Q14432 6/20 1.00
▸ PDE2A O00408 3/20 1.00
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ HTT P42858 3/20 0.50
▸ PDE1A P54750 1/20 0.49
▸ PDE1B Q01064 1/20 0.49
▸ PDE1C Q14123 1/20 0.49

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
SCHEMBL10962496 0.78 PDE2A (0.64) PDE3BPDE3APDE2ASMN1; SMN2HTT
SCHEMBL10629606 0.76 PDE3B (0.62) PDE3BPDE3APDE2ASMN1; SMN2PDE4A
SCHEMBL2531256 0.76 HTT (0.78) PDE3BPDE3APDE2ASMN1; SMN2CYP1A2
SCHEMBL2643248 0.76 PDE2A (0.61) PDE3BPDE3APDE2ASMN1; SMN2PDE4A
SCHEMBL7289586 0.75 PDE3B (1.00) PDE3BPDE3APDE2ASMN1; SMN2LMNA
SCHEMBL3419279 0.74 HTT (0.88) SMN1; SMN2HTTFGFR1KDM4EALDH1A1
SCHEMBL30402227 0.74 HTT (0.88) SMN1; SMN2HTTFGFR1KDM4EALDH1A1
SCHEMBL10353452 0.74 SMN1; SMN2 (0.81) PDE3BPDE3APDE2ASMN1; SMN2LMNA
SCHEMBL7303341 0.74 PDE3B (0.72) PDE3BPDE3APDE2ASMN1; SMN2LMNA
SCHEMBL7280158 0.73 PDE3B (0.58) PDE3BPDE3APDE2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US claimed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP claimed
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US disclosed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP disclosed
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