SCHEMBL10654044

SCHEMBL10654044

CCN(CC)C(C)Oc1ccc2nc3[nH]c(=O)[nH]c3cc2c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.72
PDE3A Q14432 20/20 0.72
P2RY12 Q9H244 15/20 0.60
PDE2A O00408 2/20 0.59

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
Hydrochloric Acid SCHEMBL10657367 0.98 PDE3B (0.69) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10760182 0.84 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10659738 0.79 PDE3B (0.68) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10760128 0.79 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10654036 0.79 PDE3B (0.75) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10758046 0.77 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
Hydrochloric Acid SCHEMBL10657366 0.77 PDE3B (0.72) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10655655 0.75 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10656517 0.74 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10658552 0.74 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