SCHEMBL10652201

SCHEMBL10652201

CNN(C(=O)CN1Cc2c(cccc2OCCCCC(=O)N(CCO)C2CCCCC2)N=C1N)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PDE4A P27815 18/20 0.40
PDE4B Q07343 18/20 0.40
PDE4C Q08493 18/20 0.40
PDE4D Q08499 18/20 0.40

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
SCHEMBL10654083 0.84 PDE4A (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10652204 0.84 PDE4A (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10670419 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL10651619 0.81 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10669170 0.81 PDE4A (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10648822 0.81 PDE4A (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10649193 0.80 PDE4A (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7313141 0.80 PDE3B (0.37) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10648231 0.79 PDE4A (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10649729 0.79 PDE4A (0.41) PDE3BPDE3APDE4APDE4BPDE4C

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-4761416-A ENZYME INHIBITORS, INOTROPIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-02 US disclosed
EP-0254327-A2 N-N-disubstituted-omega-(2-amino-3-(carbonylmethyl)-3,4-dihydroquinazolinyl) oxyalkylamides and related compounds SYNTEX (U.S.A.) INC. (US) 1988-01-27 EP disclosed