SCHEMBL7434936

SCHEMBL7434936

O=C(NCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.78
PDE3A Q14432 20/20 0.78
P2RY12 Q9H244 3/20 0.58
PDE2A O00408 2/20 0.56

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 SCHEMBL7433676 0.99 PDE3B (0.77) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7439925 0.91 PDE3B (0.79) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7323900 0.88 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
Alcohol SCHEMBL7445122 0.87 PDE3B (0.73) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7437822 0.86 PDE3B (0.76) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7439976 0.84 PDE3B (1.00) PDE3BPDE3A
SCHEMBL7432571 0.84 PDE3B (0.86) PDE3BPDE3A
SCHEMBL7446543 0.83 PDE3B (0.84) PDE3BPDE3AP2RY12
SCHEMBL7447773 0.83 PDE3B (0.80) PDE3BPDE3A
SCHEMBL7445390 0.82 PDE3B (0.86) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196428-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1993-03-23 US claimed