SCHEMBL10654057

SCHEMBL10654057

CC(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1

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 19/20 1.00
PDE2A O00408 6/20 0.82

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
SCHEMBL10658185 0.91 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7325045 0.90 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10661338 0.87 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10658237 0.87 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10657144 0.87 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10660842 0.86 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10656488 0.85 PDE3B (0.76) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10658552 0.84 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10656517 0.83 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10760128 0.83 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A

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