Sugi Predict

Sugi Predict / Compounds / SCHEMBL7325332

SCHEMBL7325332

SCHEMBL7325332

O=C(CCCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(CC2CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 20/20 1.00
▸ PDE3A Q14432 20/20 1.00
▸ P2RY12 Q9H244 1/20 0.72

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
SCHEMBL7333083 0.99 PDE3B (1.00) PDE3BPDE3AP2RY12
SCHEMBL6571766 0.97 PDE3B (1.00) PDE3BPDE3AP2RY12
SCHEMBL7435833 0.87 PDE3B (1.00) PDE3BPDE3A
SCHEMBL7432038 0.87 PDE3B (1.00) PDE3BPDE3A
Hydrochloric Acid SCHEMBL7432134 0.86 PDE3B (1.00) PDE3BPDE3A
Hydrochloric Acid SCHEMBL7431968 0.86 PDE3B (1.00) PDE3BPDE3A
SCHEMBL7437588 0.86 PDE3B (0.98) PDE3BPDE3A
Hydrochloric Acid SCHEMBL7445030 0.85 PDE3B (0.98) PDE3BPDE3A
SCHEMBL7326865 0.85 PDE3B (1.00) PDE3BPDE3AP2RY12
SCHEMBL10657958 0.84 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4943573-A ENZYME INHIBITORS, CARDIOTONIC, ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 1990-07-24 — — US claimed
EP-0426180-A2 Imidazo[4,5-b] quinolinyloxyalkanoic acid amides with enhanced water solubility Bristol-Myers Squibb Company (US) 1991-05-08 — — EP disclosed
US-4943573-A ENZYME INHIBITORS, CARDIOTONIC, ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 1990-07-24 — — US disclosed