SCHEMBL7440439

SCHEMBL7440439

CN1C(=O)c2c(ncn2Cc2ccccc2)N2C1=NC1CCCC12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.67
▸ PDE4A P27815 1/20 0.60
▸ PDE4B Q07343 1/20 0.60
▸ PDE4C Q08493 1/20 0.60
▸ PDE4D Q08499 1/20 0.60

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
SCHEMBL193092 1.00 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL193091 1.00 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL237742 0.98 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL237740 0.98 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL237741 0.98 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL713617 0.91 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL713619 0.91 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL713618 0.91 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL193096 0.88 PDE5A (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL193095 0.88 PDE5A (0.55) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 — — EP claimed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 — — WO claimed
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 — — EP disclosed
EP-0686157-A1 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM SCHERING CORPORATION (US) 1995-12-13 — — EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 — — US disclosed
WO-1994019351-A1 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM SCHERING CORPORATION (US) 1994-09-01 — — WO disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 — — EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 — — WO disclosed
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