SCHEMBL11094366

SCHEMBL11094366

CN1C(=O)CCc2cc(C3=NNC(=O)C4CCCC34)ccc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.62
PDE3A Q14432 2/20 0.62
PDE4A P27815 7/20 0.52
PDE4B Q07343 7/20 0.52
PDE4C Q08493 7/20 0.52
PDE4D Q08499 7/20 0.52
CYP11B1 P15538 11/20 0.47
CYP11B2 P19099 10/20 0.47
CYP1A2 P05177 2/20 0.47
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47

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
SCHEMBL11093035 0.95 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11091984 0.94 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11084927 0.91 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11080207 0.90 PDE4A (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11090751 0.88 PDE3B (0.65) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL11085857 0.86 PDE4A (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11086764 0.86 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11087392 0.86 CYP1A2 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11092061 0.86 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10645730 0.85 PDE3B (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474785-A HYPOTENSIVE AGENTS, ANTICOAGULANTS BASF AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed