SCHEMBL7303341

SCHEMBL7303341

O=C1CCC(c2ccc(-n3ccnc3-c3ccccc3)cc2)=NN1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.72
▸ PDE3A Q14432 9/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ PDE2A O00408 3/20 0.59
▸ LMNA P02545 2/20 0.54
▸ PDE4A P27815 2/20 0.54
▸ PDE4B Q07343 2/20 0.54
▸ PDE4C Q08493 2/20 0.54
▸ PDE4D Q08499 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ PDE1A P54750 1/20 0.51
▸ PDE1B Q01064 1/20 0.51
▸ PDE1C Q14123 1/20 0.51
▸ P2RX4 Q99571 1/20 0.46

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
SCHEMBL7280962 0.84 PDE3B (1.00) PDE3BPDE3ASMN1; SMN2PDE2ALMNA
SCHEMBL7292854 0.81 PDE3B (0.73) PDE3BPDE3ASMN1; SMN2PDE2ALMNA
SCHEMBL2798028 0.78 SMN1; SMN2 (1.00) PDE3BPDE3ASMN1; SMN2PDE2ALMNA
SCHEMBL7281065 0.78 PDE3B (0.72) PDE3BPDE3ASMN1; SMN2PDE2ALMNA
SCHEMBL7277657 0.77 PDE3B (0.70) PDE3BPDE3ASMN1; SMN2PDE2ALMNA
SCHEMBL7290985 0.76 PDE3B (0.69) PDE3BPDE3ASMN1; SMN2PDE2ALMNA
SCHEMBL7287604 0.74 PDE3B (0.70) PDE3BPDE3ASMN1; SMN2PDE2ALMNA
SCHEMBL7280920 0.74 PDE3B (1.00) PDE3BPDE3ASMN1; SMN2PDE2ALMNA
SCHEMBL10651088 0.73 PDE3B (1.00) PDE3BPDE3ASMN1; SMN2PDE2ALMNA
SCHEMBL528245 0.73 MAPK9 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9

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
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
US-4353905-A CARDIOTONIC AGENTS WARNER-LAMBERT COMPANY (US) 1982-10-12 — — US disclosed
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