SCHEMBL10656229

SCHEMBL10656229

CCOC(=O)C1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 1.00
PDE3A Q14432 20/20 1.00
P2RY12 Q9H244 5/20 1.00
PDE2A O00408 2/20 1.00

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
SCHEMBL7334731 0.84 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10657958 0.84 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL9852356 0.83 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7329232 0.83 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7326865 0.81 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7335014 0.80 PDE3B (0.81) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7335008 0.80 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7327142 0.80 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7334616 0.80 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL6571766 0.80 PDE3B (1.00) PDE3BPDE3AP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 US claimed
US-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 US disclosed