SCHEMBL7447773

SCHEMBL7447773

O=C(NCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(Cc2cccs2)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.80
PDE3A Q14432 20/20 0.80

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
Alcohol SCHEMBL7441571 0.96 PDE3B (0.74) PDE3BPDE3A
SCHEMBL7329106 0.89 PDE3B (1.00) PDE3BPDE3A
SCHEMBL7439976 0.87 PDE3B (1.00) PDE3BPDE3A
SCHEMBL7435326 0.86 PDE3B (0.80) PDE3BPDE3A
SCHEMBL7445390 0.85 PDE3B (0.86) PDE3BPDE3A
SCHEMBL7437639 0.84 PDE3B (1.00) PDE3BPDE3A
Alcohol SCHEMBL7442534 0.83 PDE3B (0.94) PDE3BPDE3A
SCHEMBL7434936 0.83 PDE3B (0.78) PDE3BPDE3A
SCHEMBL7432571 0.83 PDE3B (0.86) PDE3BPDE3A
SCHEMBL7446543 0.83 PDE3B (0.84) 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