SCHEMBL7329232

SCHEMBL7329232

O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCC(N2CCCCC2)CC1

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 4/20 0.83
PDE2A O00408 2/20 0.71

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
SCHEMBL7326865 0.93 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10657958 0.91 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7438410 0.88 PDE3B (0.79) PDE3BPDE3AP2RY12PDE2A
Hydrochloric Acid SCHEMBL7442927 0.87 PDE3B (0.77) PDE3BPDE3AP2RY12PDE2A
SCHEMBL6571766 0.84 PDE3B (1.00) PDE3BPDE3AP2RY12
SCHEMBL9852356 0.84 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7334731 0.83 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10656229 0.83 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL7333083 0.82 PDE3B (1.00) PDE3BPDE3AP2RY12
SCHEMBL7325332 0.81 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426180-A2 Imidazo[4,5-b] quinolinyloxyalkanoic acid amides with enhanced water solubility Bristol-Myers Squibb Company (US) 1991-05-08 EP claimed
US-4943573-A ENZYME INHIBITORS, CARDIOTONIC, ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 1990-07-24 US claimed
EP-2243776-A1 Substituted piperidines and their use for the treatment of diseases related to the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2010-10-27 EP disclosed
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